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

Systemtic Name: 2-[4-[[1-methyl-4-(2-oxidanylidenepiperidin-1-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[1-methyl-4-(2-oxo-1-piperidyl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[1-methyl-4-(2-oxo-1-piperidinyl)-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[1-methyl-4-(2-oxopiperidin-1-yl)-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[4-(2-ketopiperidino)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile Formula: C30H31N4O+ MolecularWeight: 463.59334

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C#N)N5CCCCC5=O

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C#N)N5CCCCC5=O

InChI

InChI=1S/C30H31N4O/c1-3-9-28-32-30-26(33-19-7-6-14-29(33)35)12-8-13-27(30)34(28,2)21-22-15-17-23(18-16-22)25-11-5-4-10-24(25)20-31/h4-5,8,10-13,15-18H,3,6-7,9,14,19,21H2,1-2H3/q+1