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

Systemtic Name: 2-[4-[[4-(3-oxidanylidene-1H-isoindol-2-yl)-1-propan-2-yl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[1-isopropyl-4-(1-oxoisoindolin-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-(3-oxo-1H-isoindol-2-yl)-1-propan-2-yl-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(3-oxo-1H-isoindol-2-yl)-1-propan-2-yl-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[1-isopropyl-4-(1-ketoisoindolin-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile Formula: C35H33N4O+ MolecularWeight: 525.66272

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(C)C)N5CC6=CC=CC=C6C5=O

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(C)C)N5CC6=CC=CC=C6C5=O

InChI

InChI=1S/C35H33N4O/c1-4-10-33-37-34-31(38-22-28-12-6-8-14-30(28)35(38)40)15-9-16-32(34)39(33,24(2)3)23-25-17-19-26(20-18-25)29-13-7-5-11-27(29)21-36/h5-9,11-20,24H,4,10,22-23H2,1-3H3/q+1