1-(2-azanylpropanoyl)-1-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 1-(2-azanylpropanoyl)-1-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-(2-aminopropanoyl)-1-(2-thioxo-1H-pyridine-3-carbonyl)pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-(2-amino-1-oxopropyl)-1-[oxo-(2-sulfanylidene-1H-pyridin-3-yl)methyl]-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-(2-aminopropanoyl)-1-(2-sulfanylidene-1H-pyridine-3-carbonyl)pyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-alanyl-1-(2-thioxo-1H-pyridine-3-carbonyl)pyrrolidin-1-ium-2-carboxylic acid Formula: C14H18N3O4S+ MolecularWeight: 324.37542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[N+]1(CCCC1C(=O)O)C(=O)C2=CC=CNC2=S)N

Isomeric SMILES

CC(C(=O)[N+]1(CCCC1C(=O)O)C(=O)C2=CC=CNC2=S)N

InChI

InChI=1S/C14H17N3O4S/c1-8(15)12(18)17(7-3-5-10(17)14(20)21)13(19)9-4-2-6-16-11(9)22/h2,4,6,8,10H,3,5,7,15H2,1H3,(H-,16,19,20,21,22)/p+1