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

Systemtic Name: 3-[2-butyl-1-[methylcarbamoyl(pentyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-[2-butyl-1-[methylcarbamoyl(pentyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid CAS Name: 3-[2-butyl-1-[methylcarbamoyl(pentyl)amino]-1-benzimidazol-1-iumyl]-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-[2-butyl-1-[methylcarbamoyl(pentyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenylbenzoic acid Traditional Name: 3-[1-[amyl(methylcarbamoyl)amino]-2-butyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Formula: C32H39N4O3+ MolecularWeight: 527.67706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C(=O)NC)[N+]1(C2=CC=CC=C2N=C1CCCC)C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CCCCCN(C(=O)NC)[N+]1(C2=CC=CC=C2N=C1CCCC)C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C32H38N4O3/c1-5-7-14-22-35(32(39)33-4)36(28-18-13-12-17-26(28)34-29(36)19-8-6-2)27-21-20-25(24-15-10-9-11-16-24)30(23(27)3)31(37)38/h9-13,15-18,20-21H,5-8,14,19,22H2,1-4H3,(H-,33,37,38,39)/p+1