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(4-Hydroxybenzoyl)choline

PropertiesImage
MNX_IDMNXM115155 Image of MNXM115155
referencechebi:178112
formulaC12H18NO3
global charge1
mol weight224.28
InChIKeyBAPAICNRGIBFJT-UHFFFAOYSA-O
InChIInChI=1S/C12H17NO3/c1-13(2,3)8-9-16-12(15)10-4-6-11(14)7-5-10/h4-7H,8-9H2,1-3H3/p+1
SMILESC[N+](C)(C)CCOC(=O)C1=CC=C(O)C=C1
MNX internals
InChI (mnx)InChI=1/C12H17NO3/c1-13(2,3)8-9-16-12(15)10-4-6-11(14)7-5-10/h4-7H,8-9H2,1-3H3 Image of MNXM115155
SMILES (mnx)[CH3:1][N+:13]([CH3:2])([CH3:3])[CH2:8][CH2:9][O:16][C:12](=[C:10]1[CH:4]=[CH:6][C:11](=[O:14])[CH:7]=[CH:5]1)[O-:15]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:178112
chebi:178112
BAPAICNRGIBFJT-UHFFFAOYSA-O 		(4-Hydroxybenzoyl)choline
2-(4-hydroxybenzoyl)oxyethyl-trimethylazanium
hmdb:HMDB0029559
BAPAICNRGIBFJT-UHFFFAOYSA-O 		(4-Hydroxybenzoyl)choline
2-((4-Hydroxybenzoyl)oxy)-N,N,N-trimethyl-ethanaminium
4-Hydroxybenzoylcholine
Para-hydroxybenzoylcholine
Parabens-choline
p-Hydroxybenzoylcholine bisulfate
{2-[hydroxy(4-oxocyclohexa-2,5-dien-1-ylidene)methoxy]ethyl}trimethylazanium

hmdb:HMDB29559 		secondary/obsolete/fantasy identifier