3-[2-butyl-1-[methylcarbamoyl-(phenylmethyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid

Systemtic Name: 3-[2-butyl-1-[methylcarbamoyl-(phenylmethyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-[1-[benzyl(methylcarbamoyl)amino]-2-butyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid CAS Name: 3-[2-butyl-1-[methylcarbamoyl-(phenylmethyl)amino]-1-benzimidazol-1-iumyl]-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-[1-[benzyl(methylcarbamoyl)amino]-2-butylbenzimidazol-1-ium-1-yl]-2-methyl-6-phenylbenzoic acid Traditional Name: 3-[1-[benzyl(methylcarbamoyl)amino]-2-butyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Formula: C34H35N4O3+ MolecularWeight: 547.6667

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2[N+]1(C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)N(CC5=CC=CC=C5)C(=O)NC

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)N(CC5=CC=CC=C5)C(=O)NC

InChI

InChI=1S/C34H34N4O3/c1-4-5-20-31-36-28-18-12-13-19-30(28)38(31,37(34(41)35-3)23-25-14-8-6-9-15-25)29-22-21-27(26-16-10-7-11-17-26)32(24(29)2)33(39)40/h6-19,21-22H,4-5,20,23H2,1-3H3,(H-,35,39,40,41)/p+1