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

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxylic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Traditional Name: 2-pyrrolidinopyridin-1-ium-3-carboxylic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C20H24N3O4+ MolecularWeight: 370.42226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=C([NH+]=CC=C2)N3CCCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=C([NH+]=CC=C2)N3CCCC3

InChI

InChI=1S/C20H23N3O4/c1-12-17(14(3)24)13(2)22-18(12)16(25)11-27-20(26)15-7-6-8-21-19(15)23-9-4-5-10-23/h6-8,22H,4-5,9-11H2,1-3H3/p+1