Summary

IMPPAT Phytochemical identifier: IMPHY015908

Phytochemical name: Propionylcholine

Synonymous chemical names:
propionylcholine

External chemical identifiers:
CID:75612, ChEBI:166483, ZINC:ZINC000001736021, FDASRS:RF1RI05V6M, SureChEMBL:SCHEMBL2303835

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Chemical structure information

SMILES:
CCC(=O)OCC[N+](C)(C)C

InChI:
InChI=1S/C8H18NO2/c1-5-8(10)11-7-6-9(2,3)4/h5-7H2,1-4H3/q+1

InChIKey:
VVQZRZCFJJZEKN-UHFFFAOYSA-N

DeepSMILES:
CCC=O)OCC[N+]C)C)C

Functional groups:
COC(C)=O, C[N+](C)(C)C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Quaternary ammonium salts

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.728

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Chemical structure download