1-(4-chlorophenyl)-2-(2-phenyliminoazepan-1-ium-3-yl)ethanone bromide

Systemtic Name: 1-(4-chlorophenyl)-2-(2-phenyliminoazepan-1-ium-3-yl)ethanone bromide Openeye Name: 1-(4-chlorophenyl)-2-(2-phenyliminoazepan-1-ium-3-yl)ethanone bromide CAS Name: 1-(4-chlorophenyl)-2-(2-phenylimino-3-azepan-1-iumyl)ethanone bromide IUPAC Name: 1-(4-chlorophenyl)-2-(2-phenyliminoazepan-1-ium-3-yl)ethanone bromide Traditional Name: 1-(4-chlorophenyl)-2-(2-phenyliminoazepan-1-ium-3-yl)ethanone bromide Formula: C20H22BrClN2O MolecularWeight: 421.75848

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH2+]C(=NC2=CC=CC=C2)C(C1)CC(=O)C3=CC=C(C=C3)Cl.[Br-]

Isomeric SMILES

C1CC[NH2+]C(=NC2=CC=CC=C2)C(C1)CC(=O)C3=CC=C(C=C3)Cl.[Br-]

InChI

InChI=1S/C20H21ClN2O.BrH/c21-17-11-9-15(10-12-17)19(24)14-16-6-4-5-13-22-20(16)23-18-7-2-1-3-8-18;/h1-3,7-12,16H,4-6,13-14H2,(H,22,23);1H