dimethyl-(5-oxidanylidene-4,4-diphenyl-heptan-2-yl)azanium chloride

Systemtic Name: dimethyl-(5-oxidanylidene-4,4-diphenyl-heptan-2-yl)azanium chloride Openeye Name: dimethyl-(1-methyl-4-oxo-3,3-diphenyl-hexyl)ammonium chloride CAS Name: dimethyl-(5-oxo-4,4-diphenylheptan-2-yl)ammonium chloride IUPAC Name: dimethyl-(5-oxo-4,4-diphenylheptan-2-yl)azanium chloride Traditional Name: (4-keto-1-methyl-3,3-diphenyl-hexyl)-dimethyl-ammonium chloride Formula: C21H28ClNO MolecularWeight: 345.90612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO.ClH/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17H,5,16H2,1-4H3;1H