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

Systemtic Name: 2-[4-[[1-methyl-4-(1-propan-2-ylimidazol-4-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-(1-isopropylimidazol-4-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[1-methyl-4-(1-propan-2-yl-4-imidazolyl)-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[1-methyl-4-(1-propan-2-ylimidazol-4-yl)-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[4-(1-isopropylimidazol-4-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C31H33N4O2+ MolecularWeight: 493.61932

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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(=O)O)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(=O)O)C5=CN(C=N5)C(C)C

InChI

InChI=1S/C31H32N4O2/c1-5-9-29-33-30-26(27-18-34(20-32-27)21(2)3)12-8-13-28(30)35(29,4)19-22-14-16-23(17-15-22)24-10-6-7-11-25(24)31(36)37/h6-8,10-18,20-21H,5,9,19H2,1-4H3/p+1