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(RS)-1-benzyl-1,2,3,4-tetrahydroisoquinoline

PropertiesImage
MNX_IDMNXM4228 Image of MNXM4228
referencechebi:57902
formulaC16H18N
global charge1
mol weight224.327
InChIKeyYRYCIFUZSUMAAY-UHFFFAOYSA-O
InChIInChI=1S/C16H17N/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16/h1-9,16-17H,10-12H2/p+1
SMILESC1=CC=C(CC2[NH2+]CCC3=CC=CC=C32)C=C1
MNX internals
InChI (mnx)InChI=1/C16H17N/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16/h1-9,16-17H,10-12H2/t16? Image of MNXM4228
SMILES (mnx)[CH:1]1=[CH:2][CH:6]=[C:13]([CH2:12][CH:16]2[C:15]3=[CH:9][CH:5]=[CH:4][CH:8]=[C:14]3[CH2:10][CH2:11][NH:17]2)[CH:7]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57902
chebi:57902
YRYCIFUZSUMAAY-UHFFFAOYSA-O 		(RS)-1-benzyl-1,2,3,4-tetrahydroisoquinoline
1-benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium
1-benzyl-1,2,3,4-tetrahydroisoquinolinium

seed.compound:cpd03093
seedM:cpd03093
YRYCIFUZSUMAAY-UHFFFAOYSA-O 		(R,S)-Tetrahydrobenzylisoquinoline
(R,S)-tetrahydrobenzylisoquinoline
(RS)-1-Benzyl-1,2,3,4-tetrahydroisoquinoline
(RS)-1-benzyl-1,2,3,4-tetrahydroisoquinoline
1-benzyl-1,2,3,4-tetrahydroisoquinoline

kegg.compound:C05201
keggC:C05201
YRYCIFUZSUMAAY-UHFFFAOYSA-N 		(R,S)-Tetrahydrobenzylisoquinoline
(RS)-1-Benzyl-1,2,3,4-tetrahydroisoquinoline

metacyc.compound:RS-TETRAHYDROBENZYLISOQUINOLINE
metacycM:RS-TETRAHYDROBENZYLISOQUINOLINE
YRYCIFUZSUMAAY-UHFFFAOYSA-O 		(R,S)-tetrahydrobenzylisoquinoline
(RS)-1-benzyl-1,2,3,4-tetrahydroisoquinoline
1-benzyl-1,2,3,4-tetrahydroisoquinoline

CHEBI:16804
chebi:16804
YRYCIFUZSUMAAY-UHFFFAOYSA-N 		(RS)-1-benzyl-1,2,3,4-tetrahydroisoquinoline
(R,S)-Tetrahydrobenzylisoquinoline
(RS)-1-Benzyl-1,2,3,4-tetrahydroisoquinoline
1,2,3,4-Tetrahydro-1-(phenylmethyl)isoquinoline
1BnTIQ
rac-(1R)-1-benzyl-1,2,3,4-tetrahydroisoquinoline
hmdb:HMDB0004087
YRYCIFUZSUMAAY-UHFFFAOYSA-N 		1-Benzyl-1,2,3,4-tetrahydroisoquinoline
(R,S)-Tetrahydrobenzylisoquinoline
(RS)-1-Benzyl-1,2,3,4-tetrahydroisoquinoline
1,2,3,4-Tetrahydro-1-(phenylmethyl)isoquinoline
1,2,3,4-tetrahydro-1-(Phenylmethyl)isoquinoline hydrochloride
1,2,3,4-tetrahydro-1-(Phenylmethyl)isoquinoline, (+-)-isomer
1,2,3,4-tetrahydro-1-(Phenylmethyl)isoquinoline, (R)-isomer
1,2,3,4-tetrahydro-1-(Phenylmethyl)isoquinoline, (S)-isomer
1-benzyl-1,2,3,4-tetrahydroisoquinoline
1BnTIQ
S49 Isoquinoline

hmdb:HMDB04087
chebi:11019
chebi:18716
chebi:363
chebi:364
keggC:M_C05201
seedM:M_cpd03093 		secondary/obsolete/fantasy identifier