1,1-dimethyl-5,5-diphenyl-azepan-1-ium-4-one

Systemtic Name: 1,1-dimethyl-5,5-diphenyl-azepan-1-ium-4-one Openeye Name: 1,1-dimethyl-5,5-diphenyl-azepan-1-ium-4-one CAS Name: 1,1-dimethyl-5,5-diphenyl-4-azepan-1-iumone IUPAC Name: 1,1-dimethyl-5,5-diphenylazepan-1-ium-4-one Traditional Name: 1,1-dimethyl-5,5-diphenyl-azepan-1-ium-4-one Formula: C20H24NO+ MolecularWeight: 294.41066

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(=O)C(CC1)(C2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

C[N+]1(CCC(=O)C(CC1)(C2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H24NO/c1-21(2)15-13-19(22)20(14-16-21,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3/q+1