5-[[4-[1-(2-ethoxy-2-oxidanylidene-ethyl)imidazol-4-yl]-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-benzoic acid

Systemtic Name: 5-[[4-[1-(2-ethoxy-2-oxidanylidene-ethyl)imidazol-4-yl]-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-benzoic acid Openeye Name: 5-[[4-[1-(2-ethoxy-2-oxo-ethyl)imidazol-4-yl]-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-benzoic acid CAS Name: 5-[[4-[1-(2-ethoxy-2-oxoethyl)-4-imidazolyl]-1-methyl-2-propyl-1-benzimidazol-1-iumyl]methyl]-2-phenylbenzoic acid IUPAC Name: 5-[[4-[1-(2-ethoxy-2-oxoethyl)imidazol-4-yl]-1-methyl-2-propylbenzimidazol-1-ium-1-yl]methyl]-2-phenylbenzoic acid Traditional Name: 5-[[4-[1-(2-ethoxy-2-keto-ethyl)imidazol-4-yl]-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-benzoic acid Formula: C32H33N4O4+ MolecularWeight: 537.62882

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC(=C(C=C3)C4=CC=CC=C4)C(=O)O)C5=CN(C=N5)CC(=O)OCC

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC(=C(C=C3)C4=CC=CC=C4)C(=O)O)C5=CN(C=N5)CC(=O)OCC

InChI

InChI=1S/C32H32N4O4/c1-4-10-29-34-31-25(27-18-35(21-33-27)19-30(37)40-5-2)13-9-14-28(31)36(29,3)20-22-15-16-24(26(17-22)32(38)39)23-11-7-6-8-12-23/h6-9,11-18,21H,4-5,10,19-20H2,1-3H3/p+1