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

Systemtic Name: 2-[6-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[6-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-benzimidazol-1-yl]acetic acid CAS Name: 2-[6-[[1-methyl-4-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazol-1-iumyl]methyl]-2-phenyl-1-benzimidazolyl]acetic acid IUPAC Name: 2-[6-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-ium-1-yl]methyl]-2-phenylbenzimidazol-1-yl]acetic acid Traditional Name: 2-[6-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-benzimidazol-1-yl]acetic acid Formula: C35H33N6O2+ MolecularWeight: 569.67552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC4=C(C=C3)N=C(N4CC(=O)O)C5=CC=CC=C5)C6=NC7=CC=CC=C7N6C

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC4=C(C=C3)N=C(N4CC(=O)O)C5=CC=CC=C5)C6=NC7=CC=CC=C7N6C

InChI

InChI=1S/C35H32N6O2/c1-4-11-31-38-33-25(35-37-26-15-8-9-16-28(26)39(35)2)14-10-17-30(33)41(31,3)22-23-18-19-27-29(20-23)40(21-32(42)43)34(36-27)24-12-6-5-7-13-24/h5-10,12-20H,4,11,21-22H2,1-3H3/p+1