2-methyl-3-[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-benzoic acid

Systemtic Name: 2-methyl-3-[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-benzoic acid Openeye Name: 2-methyl-3-[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-benzoic acid CAS Name: 2-methyl-3-[1-methyl-4-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazol-1-iumyl]-6-phenylbenzoic acid IUPAC Name: 2-methyl-3-[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-ium-1-yl]-6-phenylbenzoic acid Traditional Name: 2-methyl-3-[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-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)C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)C5=NC6=CC=CC=C6N5C

Isomeric SMILES

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

InChI

InChI=1S/C33H30N4O2/c1-5-12-29-35-31-24(32-34-25-16-9-10-17-26(25)36(32)3)15-11-18-28(31)37(29,4)27-20-19-23(22-13-7-6-8-14-22)30(21(27)2)33(38)39/h6-11,13-20H,5,12H2,1-4H3/p+1