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

Systemtic Name: 3-methyl-4-(1-methylazocan-1-ium-1-yl)-2,2-diphenyl-butanenitrile Openeye Name: 3-methyl-4-(1-methylazocan-1-ium-1-yl)-2,2-diphenyl-butanenitrile CAS Name: 3-methyl-4-(1-methyl-1-azocan-1-iumyl)-2,2-diphenylbutanenitrile IUPAC Name: 3-methyl-4-(1-methylazocan-1-ium-1-yl)-2,2-diphenylbutanenitrile Traditional Name: 3-methyl-4-(1-methylazocan-1-ium-1-yl)-2,2-diphenyl-butyronitrile Formula: C25H33N2+ MolecularWeight: 361.54292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+]1(CCCCCCC1)C)C(C#N)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C[N+]1(CCCCCCC1)C)C(C#N)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H33N2/c1-22(20-27(2)18-12-4-3-5-13-19-27)25(21-26,23-14-8-6-9-15-23)24-16-10-7-11-17-24/h6-11,14-17,22H,3-5,12-13,18-20H2,1-2H3/q+1