[4,4-diphenyl-5-(2-phenylethanoyloxy)heptan-2-yl]-dimethyl-azanium chloride

Systemtic Name: [4,4-diphenyl-5-(2-phenylethanoyloxy)heptan-2-yl]-dimethyl-azanium chloride Openeye Name: dimethyl-[1-methyl-3,3-diphenyl-4-(2-phenylacetyl)oxy-hexyl]ammonium chloride CAS Name: dimethyl-[5-(1-oxo-2-phenylethoxy)-4,4-diphenylheptan-2-yl]ammonium chloride IUPAC Name: [4,4-diphenyl-5-(2-phenylacetyl)oxyheptan-2-yl]-dimethylazanium chloride Traditional Name: dimethyl-[1-methyl-3,3-diphenyl-4-(2-phenylacetyl)oxy-hexyl]ammonium chloride Formula: C29H36ClNO2 MolecularWeight: 466.05464

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC(C)[NH+](C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCC(C(CC(C)[NH+](C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C29H35NO2.ClH/c1-5-27(32-28(31)21-24-15-9-6-10-16-24)29(22-23(2)30(3)4,25-17-11-7-12-18-25)26-19-13-8-14-20-26;/h6-20,23,27H,5,21-22H2,1-4H3;1H