5-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-benzoic acid

Systemtic Name: 5-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-benzoic acid Openeye Name: 5-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-benzoic acid CAS Name: 5-[[1-methyl-4-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazol-1-iumyl]methyl]-2-phenylbenzoic acid IUPAC Name: 5-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-ium-1-yl]methyl]-2-phenylbenzoic acid Traditional Name: 5-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-benzoic acid Formula: C33H31N4O2+ MolecularWeight: 515.62484

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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=C4)C(=O)O)C5=NC6=CC=CC=C6N5C

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC(=C(C=C3)C4=CC=CC=C4)C(=O)O)C5=NC6=CC=CC=C6N5C

InChI

InChI=1S/C33H30N4O2/c1-4-11-30-35-31-25(32-34-27-15-8-9-16-28(27)36(32)2)14-10-17-29(31)37(30,3)21-22-18-19-24(26(20-22)33(38)39)23-12-6-5-7-13-23/h5-10,12-20H,4,11,21H2,1-3H3/p+1