2-methyl-3-(1-methyl-2-propyl-4-pyridin-2-yl-benzimidazol-1-ium-1-yl)-6-phenyl-benzenecarbonitrile

Systemtic Name: 2-methyl-3-(1-methyl-2-propyl-4-pyridin-2-yl-benzimidazol-1-ium-1-yl)-6-phenyl-benzenecarbonitrile Openeye Name: 2-methyl-3-[1-methyl-2-propyl-4-(2-pyridyl)benzimidazol-1-ium-1-yl]-6-phenyl-benzonitrile CAS Name: 2-methyl-3-[1-methyl-2-propyl-4-(2-pyridinyl)-1-benzimidazol-1-iumyl]-6-phenylbenzonitrile IUPAC Name: 2-methyl-3-(1-methyl-2-propyl-4-pyridin-2-ylbenzimidazol-1-ium-1-yl)-6-phenylbenzonitrile Traditional Name: 2-methyl-3-[1-methyl-2-propyl-4-(2-pyridyl)benzimidazol-1-ium-1-yl]-6-phenyl-benzonitrile Formula: C30H27N4+ MolecularWeight: 443.56218

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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=CC=CC=N5

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=CC=CC=N5

InChI

InChI=1S/C30H27N4/c1-4-11-29-33-30-24(26-15-8-9-19-32-26)14-10-16-28(30)34(29,3)27-18-17-23(25(20-31)21(27)2)22-12-6-5-7-13-22/h5-10,12-19H,4,11H2,1-3H3/q+1