dimethyl-(2-methyl-4-oxidanylidene-3,3-diphenyl-hexyl)azanium bromide

Systemtic Name: dimethyl-(2-methyl-4-oxidanylidene-3,3-diphenyl-hexyl)azanium bromide Openeye Name: dimethyl-(2-methyl-4-oxo-3,3-diphenyl-hexyl)ammonium bromide CAS Name: dimethyl-(2-methyl-4-oxo-3,3-diphenylhexyl)ammonium bromide IUPAC Name: dimethyl-(2-methyl-4-oxo-3,3-diphenylhexyl)azanium bromide Traditional Name: (4-keto-2-methyl-3,3-diphenyl-hexyl)-dimethyl-ammonium bromide Formula: C21H28BrNO MolecularWeight: 390.35712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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