3-(1-methylazepan-1-ium-1-yl)-1,2-diphenyl-propan-1-one iodide

Systemtic Name: 3-(1-methylazepan-1-ium-1-yl)-1,2-diphenyl-propan-1-one iodide Openeye Name: 3-(1-methylazepan-1-ium-1-yl)-1,2-diphenyl-propan-1-one iodide CAS Name: 3-(1-methyl-1-azepan-1-iumyl)-1,2-diphenyl-1-propanone iodide IUPAC Name: 3-(1-methylazepan-1-ium-1-yl)-1,2-diphenylpropan-1-one iodide Traditional Name: 3-(1-methylazepan-1-ium-1-yl)-1,2-diphenyl-propan-1-one iodide Formula: C22H28INO MolecularWeight: 449.36829

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCCC1)CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1(CCCCCC1)CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C22H28NO.HI/c1-23(16-10-2-3-11-17-23)18-21(19-12-6-4-7-13-19)22(24)20-14-8-5-9-15-20;/h4-9,12-15,21H,2-3,10-11,16-18H2,1H3;1H/q+1;/p-1