dimethyl-[2-methyl-3,3-diphenyl-4-(phenylcarbonyloxy)hexyl]azanium chloride

Systemtic Name: dimethyl-[2-methyl-3,3-diphenyl-4-(phenylcarbonyloxy)hexyl]azanium chloride Openeye Name: (4-benzoyloxy-2-methyl-3,3-diphenyl-hexyl)-dimethyl-ammonium chloride CAS Name: (4-benzoyloxy-2-methyl-3,3-diphenylhexyl)-dimethylammonium chloride IUPAC Name: (4-benzoyloxy-2-methyl-3,3-diphenylhexyl)-dimethylazanium chloride Traditional Name: (4-benzoyloxy-2-methyl-3,3-diphenyl-hexyl)-dimethyl-ammonium chloride Formula: C28H34ClNO2 MolecularWeight: 452.02806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33NO2.ClH/c1-5-26(31-27(30)23-15-9-6-10-16-23)28(22(2)21-29(3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25;/h6-20,22,26H,5,21H2,1-4H3;1H