1-(2-azanylpropanoyl)-1-(2-chloranylpyridin-3-yl)carbonyl-pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 1-(2-azanylpropanoyl)-1-(2-chloranylpyridin-3-yl)carbonyl-pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-(2-aminopropanoyl)-1-(2-chloropyridine-3-carbonyl)pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-(2-amino-1-oxopropyl)-1-[(2-chloro-3-pyridinyl)-oxomethyl]-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-(2-aminopropanoyl)-1-(2-chloropyridine-3-carbonyl)pyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-alanyl-1-(2-chloronicotinoyl)pyrrolidin-1-ium-2-carboxylic acid Formula: C14H17ClN3O4+ MolecularWeight: 326.75548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3O4/c1-8(16)12(19)18(7-3-5-10(18)14(21)22)13(20)9-4-2-6-17-11(9)15/h2,4,6,8,10H,3,5,7,16H2,1H3/p+1