dimethyl-nonyl-[2-(2-oxidanyl-2,2-diphenyl-ethanoyl)oxyethyl]azanium bromide

Systemtic Name: dimethyl-nonyl-[2-(2-oxidanyl-2,2-diphenyl-ethanoyl)oxyethyl]azanium bromide Openeye Name: 2-(2-hydroxy-2,2-diphenyl-acetyl)oxyethyl-dimethyl-nonyl-ammonium bromide CAS Name: 2-(2-hydroxy-1-oxo-2,2-diphenylethoxy)ethyl-dimethyl-nonylammonium bromide IUPAC Name: 2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl-dimethyl-nonylazanium bromide Traditional Name: 2-benziloyloxyethyl-dimethyl-nonyl-ammonium bromide Formula: C27H40BrNO3 MolecularWeight: 506.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC[N+](C)(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.[Br-]

Isomeric SMILES

CCCCCCCCC[N+](C)(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.[Br-]

InChI

InChI=1S/C27H40NO3.BrH/c1-4-5-6-7-8-9-16-21-28(2,3)22-23-31-26(29)27(30,24-17-12-10-13-18-24)25-19-14-11-15-20-25;/h10-15,17-20,30H,4-9,16,21-23H2,1-3H3;1H/q+1;/p-1