[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxylic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Traditional Name: 2-pyrrolidinopyridin-1-ium-3-carboxylic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C16H23N4O4+ MolecularWeight: 335.37822

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1=C([NH+]=CC=C1)N2CCCC2

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C1=C([NH+]=CC=C1)N2CCCC2

InChI

InChI=1S/C16H22N4O4/c1-2-7-18-16(23)19-13(21)11-24-15(22)12-6-5-8-17-14(12)20-9-3-4-10-20/h5-6,8H,2-4,7,9-11H2,1H3,(H2,18,19,21,23)/p+1