2-methyl-3-[1-methyl-4-(1-methylimidazol-4-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-benzenecarbonitrile

Systemtic Name: 2-methyl-3-[1-methyl-4-(1-methylimidazol-4-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-benzenecarbonitrile Openeye Name: 2-methyl-3-[1-methyl-4-(1-methylimidazol-4-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-benzonitrile CAS Name: 2-methyl-3-[1-methyl-4-(1-methyl-4-imidazolyl)-2-propyl-1-benzimidazol-1-iumyl]-6-phenylbenzonitrile IUPAC Name: 2-methyl-3-[1-methyl-4-(1-methylimidazol-4-yl)-2-propylbenzimidazol-1-ium-1-yl]-6-phenylbenzonitrile Traditional Name: 2-methyl-3-[1-methyl-4-(1-methylimidazol-4-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-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)C3=C(C(=C(C=C3)C4=CC=CC=C4)C#N)C)C5=CN(C=N5)C

Isomeric SMILES

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

InChI

InChI=1S/C29H28N5/c1-5-10-28-32-29-23(25-18-33(3)19-31-25)13-9-14-27(29)34(28,4)26-16-15-22(24(17-30)20(26)2)21-11-7-6-8-12-21/h6-9,11-16,18-19H,5,10H2,1-4H3/q+1