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

Systemtic Name: 2-[4-[[4-[1-(2-ethoxy-2-oxidanylidene-ethyl)imidazol-4-yl]-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Openeye Name: 2-[4-[[4-[1-(2-ethoxy-2-oxo-ethyl)imidazol-4-yl]-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[4-[1-(2-ethoxy-2-oxoethyl)-4-imidazolyl]-1-methyl-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoate IUPAC Name: 2-[4-[[4-[1-(2-ethoxy-2-oxoethyl)imidazol-4-yl]-1-methyl-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[4-[1-(2-ethoxy-2-keto-ethyl)imidazol-4-yl]-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Formula: C32H32N4O4 MolecularWeight: 536.62088

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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=C4C(=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=C4C(=O)[O-])C5=CN(C=N5)CC(=O)OCC

InChI

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