dodecyl-dimethyl-[2-(phenylcarbonyloxy)ethyl]azanium bromide

Systemtic Name: dodecyl-dimethyl-[2-(phenylcarbonyloxy)ethyl]azanium bromide Openeye Name: 2-benzoyloxyethyl-dodecyl-dimethyl-ammonium bromide CAS Name: 2-benzoyloxyethyl-dodecyl-dimethylammonium bromide IUPAC Name: 2-benzoyloxyethyl-dodecyl-dimethylazanium bromide Traditional Name: 2-benzoyloxyethyl-lauryl-dimethyl-ammonium bromide Formula: C23H40BrNO2 MolecularWeight: 442.4732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CCOC(=O)C1=CC=CC=C1.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CCOC(=O)C1=CC=CC=C1.[Br-]

InChI

InChI=1S/C23H40NO2.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-24(2,3)20-21-26-23(25)22-17-14-13-15-18-22;/h13-15,17-18H,4-12,16,19-21H2,1-3H3;1H/q+1;/p-1