2-[4-[[1-methyl-4-[(2-methyl-4-oxidanylidene-pentan-3-yl)carbamoyl]-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[1-methyl-4-[(2-methyl-4-oxidanylidene-pentan-3-yl)carbamoyl]-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-[(1-acetyl-2-methyl-propyl)carbamoyl]-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[1-methyl-4-[[(2-methyl-4-oxopentan-3-yl)amino]-oxomethyl]-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[1-methyl-4-[(2-methyl-4-oxopentan-3-yl)carbamoyl]-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[4-[(1-acetyl-2-methyl-propyl)carbamoyl]-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C32H36N3O4+ MolecularWeight: 526.64594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C(=O)NC(C(C)C)C(=O)C

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C(=O)NC(C(C)C)C(=O)C

InChI

InChI=1S/C32H35N3O4/c1-6-10-28-33-30-26(31(37)34-29(20(2)3)21(4)36)13-9-14-27(30)35(28,5)19-22-15-17-23(18-16-22)24-11-7-8-12-25(24)32(38)39/h7-9,11-18,20,29H,6,10,19H2,1-5H3,(H-,34,37,38,39)/p+1