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

Systemtic Name: 2-[2,6-dimethoxy-4-[[6-methyl-1-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenoxy]-2-phenyl-ethanoic acid Openeye Name: 2-[2,6-dimethoxy-4-[[6-methyl-1-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenoxy]-2-phenyl-acetic acid CAS Name: 2-[2,6-dimethoxy-4-[[6-methyl-1-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazol-1-iumyl]methyl]phenoxy]-2-phenylacetic acid IUPAC Name: 2-[2,6-dimethoxy-4-[[6-methyl-1-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-ium-1-yl]methyl]phenoxy]-2-phenylacetic acid Traditional Name: 2-[2,6-dimethoxy-4-[[6-methyl-1-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenoxy]-2-phenyl-acetic acid Formula: C36H37N4O5+ MolecularWeight: 605.70278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H36N4O5/c1-6-12-32-37-27-18-17-23(2)19-29(27)40(32,36-38-26-15-10-11-16-28(26)39(36)3)22-24-20-30(43-4)34(31(21-24)44-5)45-33(35(41)42)25-13-8-7-9-14-25/h7-11,13-21,33H,6,12,22H2,1-5H3/p+1