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

Systemtic Name: 2-[4-[[1-methyl-4-(1-methylimidazol-4-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[1-methyl-4-(1-methylimidazol-4-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[1-methyl-4-(1-methyl-4-imidazolyl)-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[1-methyl-4-(1-methylimidazol-4-yl)-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[1-methyl-4-(1-methylimidazol-4-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile Formula: C29H28N5+ MolecularWeight: 446.56612

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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)C5=CN(C=N5)C

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C5=CN(C=N5)C

InChI

InChI=1S/C29H28N5/c1-4-8-28-32-29-25(26-18-33(2)20-31-26)11-7-12-27(29)34(28,3)19-21-13-15-22(16-14-21)24-10-6-5-9-23(24)17-30/h5-7,9-16,18,20H,4,8,19H2,1-3H3/q+1