2-[4-[[2-butyl-1-methyl-4-(3-oxidanylidene-1H-isoindol-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[2-butyl-1-methyl-4-(3-oxidanylidene-1H-isoindol-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[2-butyl-1-methyl-4-(1-oxoisoindolin-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[2-butyl-1-methyl-4-(3-oxo-1H-isoindol-2-yl)-1-benzimidazol-1-iumyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[2-butyl-1-methyl-4-(3-oxo-1H-isoindol-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[2-butyl-4-(1-ketoisoindolin-2-yl)-1-methyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile Formula: C34H31N4O+ MolecularWeight: 511.63614

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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)N5CC6=CC=CC=C6C5=O

Isomeric SMILES

CCCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C#N)N5CC6=CC=CC=C6C5=O

InChI

InChI=1S/C34H31N4O/c1-3-4-16-32-36-33-30(37-22-27-11-6-8-13-29(27)34(37)39)14-9-15-31(33)38(32,2)23-24-17-19-25(20-18-24)28-12-7-5-10-26(28)21-35/h5-15,17-20H,3-4,16,22-23H2,1-2H3/q+1