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

Systemtic Name: 2-[4-[[1-methyl-4-(3-oxidanylidene-1H-isoindol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[1-methyl-4-(1-oxoisoindolin-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[1-methyl-4-(3-oxo-1H-isoindol-2-yl)-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[1-methyl-4-(3-oxo-1H-isoindol-2-yl)-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[4-(1-ketoisoindolin-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile Formula: C33H29N4O+ MolecularWeight: 497.60956

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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)N5CC6=CC=CC=C6C5=O

Isomeric SMILES

CCCC1=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/C33H29N4O/c1-3-9-31-35-32-29(36-21-26-11-5-7-13-28(26)33(36)38)14-8-15-30(32)37(31,2)22-23-16-18-24(19-17-23)27-12-6-4-10-25(27)20-34/h4-8,10-19H,3,9,21-22H2,1-2H3/q+1