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

Systemtic Name: 2-methyl-3-[1-methyl-4-(1-propan-2-ylimidazol-4-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-benzenecarbonitrile Openeye Name: 3-[4-(1-isopropylimidazol-4-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzonitrile CAS Name: 2-methyl-3-[1-methyl-4-(1-propan-2-yl-4-imidazolyl)-2-propyl-1-benzimidazol-1-iumyl]-6-phenylbenzonitrile IUPAC Name: 2-methyl-3-[1-methyl-4-(1-propan-2-ylimidazol-4-yl)-2-propylbenzimidazol-1-ium-1-yl]-6-phenylbenzonitrile Traditional Name: 3-[4-(1-isopropylimidazol-4-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzonitrile Formula: C31H32N5+ MolecularWeight: 474.61928

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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(C)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(C)C

InChI

InChI=1S/C31H32N5/c1-6-11-30-34-31-25(27-19-35(20-33-27)21(2)3)14-10-15-29(31)36(30,5)28-17-16-24(26(18-32)22(28)4)23-12-8-7-9-13-23/h7-10,12-17,19-21H,6,11H2,1-5H3/q+1