3-methyl-4-(1-methylazepan-1-ium-1-yl)-2,2-diphenyl-butanenitrile iodide

Systemtic Name: 3-methyl-4-(1-methylazepan-1-ium-1-yl)-2,2-diphenyl-butanenitrile iodide Openeye Name: 3-methyl-4-(1-methylazepan-1-ium-1-yl)-2,2-diphenyl-butanenitrile iodide CAS Name: 3-methyl-4-(1-methyl-1-azepan-1-iumyl)-2,2-diphenylbutanenitrile iodide IUPAC Name: 3-methyl-4-(1-methylazepan-1-ium-1-yl)-2,2-diphenylbutanenitrile iodide Traditional Name: 3-methyl-4-(1-methylazepan-1-ium-1-yl)-2,2-diphenyl-butyronitrile iodide Formula: C24H31IN2 MolecularWeight: 474.42081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N2.HI/c1-21(19-26(2)17-11-3-4-12-18-26)24(20-25,22-13-7-5-8-14-22)23-15-9-6-10-16-23;/h5-10,13-16,21H,3-4,11-12,17-19H2,1-2H3;1H/q+1;/p-1