5-[[4-(3-oxidanylidene-1H-isoindol-2-yl)-1-propan-2-yl-2-propyl-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-benzenecarbonitrile

Systemtic Name: 5-[[4-(3-oxidanylidene-1H-isoindol-2-yl)-1-propan-2-yl-2-propyl-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-benzenecarbonitrile Openeye Name: 5-[[1-isopropyl-4-(1-oxoisoindolin-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-benzonitrile CAS Name: 5-[[4-(3-oxo-1H-isoindol-2-yl)-1-propan-2-yl-2-propyl-1-benzimidazol-1-iumyl]methyl]-2-phenylbenzonitrile IUPAC Name: 5-[[4-(3-oxo-1H-isoindol-2-yl)-1-propan-2-yl-2-propylbenzimidazol-1-ium-1-yl]methyl]-2-phenylbenzonitrile Traditional Name: 5-[[1-isopropyl-4-(1-ketoisoindolin-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]-2-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=C4)C#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=C4)C#N)C(C)C)N5CC6=CC=CC=C6C5=O

InChI

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