dodecyl-dimethyl-[1-(phenylcarbonyloxy)ethyl]azanium chloride

Systemtic Name: dodecyl-dimethyl-[1-(phenylcarbonyloxy)ethyl]azanium chloride Openeye Name: 1-benzoyloxyethyl-dodecyl-dimethyl-ammonium chloride CAS Name: 1-benzoyloxyethyl-dodecyl-dimethylammonium chloride IUPAC Name: 1-benzoyloxyethyl-dodecyl-dimethylazanium chloride Traditional Name: 1-benzoyloxyethyl-lauryl-dimethyl-ammonium chloride Formula: C23H40ClNO2 MolecularWeight: 398.0222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)C(C)OC(=O)C1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)C(C)OC(=O)C1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C23H40NO2.ClH/c1-5-6-7-8-9-10-11-12-13-17-20-24(3,4)21(2)26-23(25)22-18-15-14-16-19-22;/h14-16,18-19,21H,5-13,17,20H2,1-4H3;1H/q+1;/p-1