Summary

IMPPAT Phytochemical identifier: IMPHY013783

Phytochemical name: Chlormequat chloride

Synonymous chemical names:
chlorocholine chloride

External chemical identifiers:
CID:13836, ChEMBL:CHEMBL118539, ChEBI:137392, FDASRS:PPL2215L82, SureChEMBL:SCHEMBL54309, MolPort-001-786-040

---

Chemical structure information

SMILES:
ClCC[N+](C)(C)C.[Cl-]

InChI:
InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1

InChIKey:
UHZZMRAGKVHANO-UHFFFAOYSA-M

DeepSMILES:
ClCC[N+]C)C)C.[Cl-]

Functional groups:
CCl, C[N+](C)(C)C, [Cl-]

---

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 acyls

NP-Likeness score: 0.679

---

Chemical structure download