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

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

Systemtic Name:dimethyl-octadecyl-[2-(phenylcarbonyloxy)ethyl]azanium bromide
Openeye Name:2-benzoyloxyethyl-dimethyl-octadecyl-ammonium bromide
CAS Name:2-benzoyloxyethyl-dimethyl-octadecylammonium bromide
IUPAC Name:2-benzoyloxyethyl-dimethyl-octadecylazanium bromide
Traditional Name:2-benzoyloxyethyl-dimethyl-stearyl-ammonium bromide
Formula: C29H52BrNO2
MolecularWeight: 526.63268
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C29H52NO2.BrH/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;1H/q+1;/p-1


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