2-[4-[[2-butyl-1-methyl-4-(2-oxidanylidenepiperidin-1-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[2-butyl-1-methyl-4-(2-oxidanylidenepiperidin-1-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[2-butyl-1-methyl-4-(2-oxo-1-piperidyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[2-butyl-1-methyl-4-(2-oxo-1-piperidinyl)-1-benzimidazol-1-iumyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[2-butyl-1-methyl-4-(2-oxopiperidin-1-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[2-butyl-4-(2-ketopiperidino)-1-methyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile Formula: C31H33N4O+ MolecularWeight: 477.61992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C#N)N5CCCCC5=O

Isomeric SMILES

CCCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C#N)N5CCCCC5=O

InChI

InChI=1S/C31H33N4O/c1-3-4-14-29-33-31-27(34-20-8-7-15-30(34)36)12-9-13-28(31)35(29,2)22-23-16-18-24(19-17-23)26-11-6-5-10-25(26)21-32/h5-6,9-13,16-19H,3-4,7-8,14-15,20,22H2,1-2H3/q+1