ethyl 1-(2-azanylpropanoyl)-1-[(6-oxidanylidene-1H-pyridin-2-yl)carbonyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: ethyl 1-(2-azanylpropanoyl)-1-[(6-oxidanylidene-1H-pyridin-2-yl)carbonyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: ethyl 1-(2-aminopropanoyl)-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidin-1-ium-2-carboxylate CAS Name: 1-(2-amino-1-oxopropyl)-1-[oxo-(6-oxo-1H-pyridin-2-yl)methyl]-2-pyrrolidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-aminopropanoyl)-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: 1-alanyl-1-(6-keto-1H-pyridine-2-carbonyl)pyrrolidin-1-ium-2-carboxylic acid ethyl ester Formula: C16H22N3O5+ MolecularWeight: 336.36298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[N+]1(C(=O)C2=CC=CC(=O)N2)C(=O)C(C)N

Isomeric SMILES

CCOC(=O)C1CCC[N+]1(C(=O)C2=CC=CC(=O)N2)C(=O)C(C)N

InChI

InChI=1S/C16H21N3O5/c1-3-24-16(23)12-7-5-9-19(12,14(21)10(2)17)15(22)11-6-4-8-13(20)18-11/h4,6,8,10,12H,3,5,7,9,17H2,1-2H3/p+1