ethyl 1-(2-azanylpropanoyl)-1-[(5-bromanyl-2-oxidanylidene-1H-pyridin-3-yl)carbonyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: ethyl 1-(2-azanylpropanoyl)-1-[(5-bromanyl-2-oxidanylidene-1H-pyridin-3-yl)carbonyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: ethyl 1-(2-aminopropanoyl)-1-(5-bromo-2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-1-ium-2-carboxylate CAS Name: 1-(2-amino-1-oxopropyl)-1-[(5-bromo-2-oxo-1H-pyridin-3-yl)-oxomethyl]-2-pyrrolidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-aminopropanoyl)-1-(5-bromo-2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: 1-alanyl-1-(5-bromo-2-keto-1H-pyridine-3-carbonyl)pyrrolidin-1-ium-2-carboxylic acid ethyl ester Formula: C16H21BrN3O5+ MolecularWeight: 415.25904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[N+]1(C(=O)C2=CC(=CNC2=O)Br)C(=O)C(C)N

Isomeric SMILES

CCOC(=O)C1CCC[N+]1(C(=O)C2=CC(=CNC2=O)Br)C(=O)C(C)N

InChI

InChI=1S/C16H20BrN3O5/c1-3-25-16(24)12-5-4-6-20(12,14(22)9(2)18)15(23)11-7-10(17)8-19-13(11)21/h7-9,12H,3-6,18H2,1-2H3/p+1