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1-(4-hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium

PropertiesImage
MNX_IDMNXM115851 Image of MNXM115851
referencechebi:57975
formulaC14H18N3O2
global charge1
mol weight260.317
InChIKeyPINBHFPAOLBYDE-UHFFFAOYSA-O
InChIInChI=1S/C14H17N3O2/c1-10-12(5-7-18)4-3-6-17(10)9-13-8-15-11(2)16-14(13)19/h3-4,6,8,18H,5,7,9H2,1-2H3/p+1
SMILESCC1=NC=C(C[N+]2=CC=CC(CCO)=C2C)C(O)=N1
MNX internals
InChI (mnx)InChI=1/C14H17N3O2/c1-10-12(5-7-18)4-3-6-17(10)9-13-8-15-11(2)16-14(13)19/h3-4,6,8,18H,5,7,9H2,1-2H3 Image of MNXM115851
SMILES (mnx)[CH3:1][C:10]1=[C:12]([CH2:5][CH2:7][OH:18])[CH:4]=[CH:3][CH:6]=[N+:17]1[CH2:9][C:13]1=[CH:8][N:15]=[C:11]([CH3:2])[N:16]=[C:14]1[O-:19]
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:57975
chebi:57975
PINBHFPAOLBYDE-UHFFFAOYSA-O 		1-(4-hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium
1-(4-hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium cation
1-(4-hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium(1+)
3-(2-hydroxyethyl)-1-[(4-hydroxy-2-methylpyrimidin-5-yl)methyl]-2-methylpyridinium

metacyc.compound:CPD-13587
metacycM:CPD-13587
seed.compound:cpd23944
seedM:cpd23944
PINBHFPAOLBYDE-UHFFFAOYSA-O 		1-(4-hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium

kegg.compound:C21112
keggC:C21112
PINBHFPAOLBYDE-UHFFFAOYSA-O 		Oxypyrithiamine
1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium

keggC:M_C21112
seedM:M_cpd23944 		secondary/obsolete/fantasy identifier