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

Systemtic Name: 2-[4-[[1-methyl-4-(1-propan-2-ylimidazol-4-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-(1-isopropylimidazol-4-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[1-methyl-4-(1-propan-2-yl-4-imidazolyl)-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[1-methyl-4-(1-propan-2-ylimidazol-4-yl)-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[4-(1-isopropylimidazol-4-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]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)CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C5=CN(C=N5)C(C)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(C)C

InChI

InChI=1S/C31H32N5/c1-5-9-30-34-31-27(28-19-35(21-33-28)22(2)3)12-8-13-29(31)36(30,4)20-23-14-16-24(17-15-23)26-11-7-6-10-25(26)18-32/h6-8,10-17,19,21-22H,5,9,20H2,1-4H3/q+1