dimethyl-[(E)-octadec-9-enyl]-(phenylmethyl)azanium chloride

Systemtic Name: dimethyl-[(E)-octadec-9-enyl]-(phenylmethyl)azanium chloride Openeye Name: benzyl-dimethyl-[(E)-octadec-9-enyl]ammonium chloride CAS Name: dimethyl-[(E)-octadec-9-enyl]-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-dimethyl-[(E)-octadec-9-enyl]azanium chloride Traditional Name: benzyl-dimethyl-[(E)-octadec-9-enyl]ammonium chloride Formula: C27H48ClN MolecularWeight: 422.12972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C27H48N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;/h11-12,19-21,23-24H,4-10,13-18,22,25-26H2,1-3H3;1H/q+1;/p-1/b12-11+;