[2-methyl-3-[2-(2-oxidanyl-2,2-diphenyl-ethanoyl)oxyethyl]nonan-2-yl]azanium bromide

Systemtic Name: [2-methyl-3-[2-(2-oxidanyl-2,2-diphenyl-ethanoyl)oxyethyl]nonan-2-yl]azanium bromide Openeye Name: [2-[2-(2-hydroxy-2,2-diphenyl-acetyl)oxyethyl]-1,1-dimethyl-octyl]ammonium bromide CAS Name: [3-[2-(2-hydroxy-1-oxo-2,2-diphenylethoxy)ethyl]-2-methylnonan-2-yl]ammonium bromide IUPAC Name: [3-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-2-methylnonan-2-yl]azanium bromide Traditional Name: [2-(2-benziloyloxyethyl)-1,1-dimethyl-octyl]ammonium bromide Formula: C26H38BrNO3 MolecularWeight: 492.48882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O)C(C)(C)[NH3+].[Br-]

Isomeric SMILES

CCCCCCC(CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O)C(C)(C)[NH3+].[Br-]

InChI

InChI=1S/C26H37NO3.BrH/c1-4-5-6-9-14-21(25(2,3)27)19-20-30-24(28)26(29,22-15-10-7-11-16-22)23-17-12-8-13-18-23;/h7-8,10-13,15-18,21,29H,4-6,9,14,19-20,27H2,1-3H3;1H