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

Systemtic Name: heptyl-dimethyl-[2-(2-oxidanyl-2,2-diphenyl-ethanoyl)oxyethyl]azanium bromide Openeye Name: heptyl-[2-(2-hydroxy-2,2-diphenyl-acetyl)oxyethyl]-dimethyl-ammonium bromide CAS Name: heptyl-[2-(2-hydroxy-1-oxo-2,2-diphenylethoxy)ethyl]-dimethylammonium bromide IUPAC Name: heptyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium bromide Traditional Name: 2-benziloyloxyethyl-heptyl-dimethyl-ammonium bromide Formula: C25H36BrNO3 MolecularWeight: 478.46224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36NO3.BrH/c1-4-5-6-7-14-19-26(2,3)20-21-29-24(27)25(28,22-15-10-8-11-16-22)23-17-12-9-13-18-23;/h8-13,15-18,28H,4-7,14,19-21H2,1-3H3;1H/q+1;/p-1