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

Systemtic Name: 1,1-dimethyl-5,5-diphenyl-azepan-1-ium-4-one iodide Openeye Name: 1,1-dimethyl-5,5-diphenyl-azepan-1-ium-4-one iodide CAS Name: 1,1-dimethyl-5,5-diphenyl-4-azepan-1-iumone iodide IUPAC Name: 1,1-dimethyl-5,5-diphenylazepan-1-ium-4-one iodide Traditional Name: 1,1-dimethyl-5,5-diphenyl-azepan-1-ium-4-one iodide Formula: C20H24INO MolecularWeight: 421.31513

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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.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C20H24NO.HI/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;1H/q+1;/p-1