dimethyl-octadecyl-[2-(phenylcarbonyloxy)ethyl]azanium

Systemtic Name: dimethyl-octadecyl-[2-(phenylcarbonyloxy)ethyl]azanium Openeye Name: 2-benzoyloxyethyl-dimethyl-octadecyl-ammonium CAS Name: 2-benzoyloxyethyl-dimethyl-octadecylammonium IUPAC Name: 2-benzoyloxyethyl-dimethyl-octadecylazanium Traditional Name: 2-benzoyloxyethyl-dimethyl-stearyl-ammonium Formula: C29H52NO2+ MolecularWeight: 446.72868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCOC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCOC(=O)C1=CC=CC=C1

InChI

InChI=1S/C29H52NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-30(2,3)26-27-32-29(31)28-23-20-19-21-24-28/h19-21,23-24H,4-18,22,25-27H2,1-3H3/q+1