dimethyl-octyl-[2-[2-(phenylcarbonyloxy)ethoxy]ethyl]azanium bromide

Systemtic Name: dimethyl-octyl-[2-[2-(phenylcarbonyloxy)ethoxy]ethyl]azanium bromide Openeye Name: 2-(2-benzoyloxyethoxy)ethyl-dimethyl-octyl-ammonium bromide CAS Name: 2-(2-benzoyloxyethoxy)ethyl-dimethyl-octylammonium bromide IUPAC Name: 2-(2-benzoyloxyethoxy)ethyl-dimethyl-octylazanium bromide Traditional Name: 2-(2-benzoyloxyethoxy)ethyl-dimethyl-octyl-ammonium bromide Formula: C21H36BrNO3 MolecularWeight: 430.41944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(C)CCOCCOC(=O)C1=CC=CC=C1.[Br-]

Isomeric SMILES

CCCCCCCC[N+](C)(C)CCOCCOC(=O)C1=CC=CC=C1.[Br-]

InChI

InChI=1S/C21H36NO3.BrH/c1-4-5-6-7-8-12-15-22(2,3)16-17-24-18-19-25-21(23)20-13-10-9-11-14-20;/h9-11,13-14H,4-8,12,15-19H2,1-3H3;1H/q+1;/p-1