4-(1-methylazepan-1-ium-1-yl)-2,2-diphenyl-butanamide iodide

Systemtic Name: 4-(1-methylazepan-1-ium-1-yl)-2,2-diphenyl-butanamide iodide Openeye Name: 4-(1-methylazepan-1-ium-1-yl)-2,2-diphenyl-butanamide iodide CAS Name: 4-(1-methyl-1-azepan-1-iumyl)-2,2-diphenylbutanamide iodide IUPAC Name: 4-(1-methylazepan-1-ium-1-yl)-2,2-diphenylbutanamide iodide Traditional Name: 4-(1-methylazepan-1-ium-1-yl)-2,2-diphenyl-butyramide iodide Formula: C23H31IN2O MolecularWeight: 478.40951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O.HI/c1-25(17-10-2-3-11-18-25)19-16-23(22(24)26,20-12-6-4-7-13-20)21-14-8-5-9-15-21;/h4-9,12-15H,2-3,10-11,16-19H2,1H3,(H-,24,26);1H