1-(2-azanylpropanoyl)-1-(6-chloranylpyridin-3-yl)carbonyl-pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 1-(2-azanylpropanoyl)-1-(6-chloranylpyridin-3-yl)carbonyl-pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-(2-aminopropanoyl)-1-(6-chloropyridine-3-carbonyl)pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-(2-amino-1-oxopropyl)-1-[(6-chloro-3-pyridinyl)-oxomethyl]-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-(2-aminopropanoyl)-1-(6-chloropyridine-3-carbonyl)pyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-alanyl-1-(6-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=CN=C(C=C2)Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3O4/c1-8(16)12(19)18(6-2-3-10(18)14(21)22)13(20)9-4-5-11(15)17-7-9/h4-5,7-8,10H,2-3,6,16H2,1H3/p+1