[2-(1-cyclopropyl-4-methoxycarbonyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-(1-cyclopropyl-4-methoxycarbonyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Openeye Name: [2-(1-cyclopropyl-4-methoxycarbonyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxylic acid [2-(1-cyclopropyl-4-methoxycarbonyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-4-methoxycarbonyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Traditional Name: 2-pyrrolidinopyridin-1-ium-3-carboxylic acid [2-(4-carbomethoxy-1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C23H28N3O5+ MolecularWeight: 426.48552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C2CC2)C)C(=O)OC)C(=O)COC(=O)C3=C([NH+]=CC=C3)N4CCCC4

Isomeric SMILES

CC1=C(C(=C(N1C2CC2)C)C(=O)OC)C(=O)COC(=O)C3=C([NH+]=CC=C3)N4CCCC4

InChI

InChI=1S/C23H27N3O5/c1-14-19(20(23(29)30-3)15(2)26(14)16-8-9-16)18(27)13-31-22(28)17-7-6-10-24-21(17)25-11-4-5-12-25/h6-7,10,16H,4-5,8-9,11-13H2,1-3H3/p+1