Summary

IMPPAT Phytochemical identifier: IMPHY015521

Phytochemical name: Choline hydroxide

Synonymous chemical names:
bursine

External chemical identifiers:
CID:31255, ChEMBL:CHEMBL3187547, FDASRS:7THJ3EG9SY, SureChEMBL:SCHEMBL54947, MolPort-001-794-511

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Chemical structure information

SMILES:
OCC[N+](C)(C)C.[OH-]

InChI:
InChI=1S/C5H14NO.H2O/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H2/q+1;/p-1

InChIKey:
KIZQNNOULOCVDM-UHFFFAOYSA-M

DeepSMILES:
OCC[N+]C)C)C.[OH-]

Functional groups:
CO, C[N+](C)(C)C, [OH-]

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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-Likeness score: 1.264

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Chemical structure download