Summary
IMPPAT Phytochemical identifier: IMPPAT3_PHYID001673
Phytochemical name: Choline chloride
Synonymous chemical names:choline chloride
External chemical identifiers:CID:CID_6209, ChEMBL:CHEMBL282468, ChEBI:CHEBI:133341, FDASRS:45I14D8O27, SureChEMBL:SCHEMBL14957, MolPort-001-785-869
Chemical structure information
SMILES:
OCC[N+](C)(C)C.[Cl-]InChI:
InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1InChIKey:
SGMZJAMFUVOLNK-UHFFFAOYSA-MDeepSMILES:
OCC[N+]C)C)C.[Cl-]Functional groups:
CO, C[N+](C)(C)C, [Cl-]
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organic nitrogen compoundsClassyFire Class: Organonitrogen compounds
ClassyFire Subclass: Quaternary ammonium salts
NP-Likeness score: 1.264
Chemical structure download
