ethyl 1-ethyl-3-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-3-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-3-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-[2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C23H28N3O5+ MolecularWeight: 426.48552

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)C3=C(C(=C(N3)C)C(=O)OC)C)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)C3=C(C(=C(N3)C)C(=O)OC)C)C

InChI

InChI=1S/C23H27N3O5/c1-7-25-15(5)26(18-11-16(9-10-17(18)25)22(28)31-8-2)12-19(27)21-13(3)20(14(4)24-21)23(29)30-6/h9-11H,7-8,12H2,1-6H3/p+1