ethyl 1-(2-azanylpropanoyl)-1-(6-chloranylpyridin-3-yl)carbonyl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: ethyl 1-(2-azanylpropanoyl)-1-(6-chloranylpyridin-3-yl)carbonyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: ethyl 1-(2-aminopropanoyl)-1-(6-chloropyridine-3-carbonyl)pyrrolidin-1-ium-2-carboxylate CAS Name: 1-(2-amino-1-oxopropyl)-1-[(6-chloro-3-pyridinyl)-oxomethyl]-2-pyrrolidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-aminopropanoyl)-1-(6-chloropyridine-3-carbonyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: 1-alanyl-1-(6-chloronicotinoyl)pyrrolidin-1-ium-2-carboxylic acid ethyl ester Formula: C16H21ClN3O4+ MolecularWeight: 354.80864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[N+]1(C(=O)C2=CN=C(C=C2)Cl)C(=O)C(C)N

Isomeric SMILES

CCOC(=O)C1CCC[N+]1(C(=O)C2=CN=C(C=C2)Cl)C(=O)C(C)N

InChI

InChI=1S/C16H21ClN3O4/c1-3-24-16(23)12-5-4-8-20(12,14(21)10(2)18)15(22)11-6-7-13(17)19-9-11/h6-7,9-10,12H,3-5,8,18H2,1-2H3/q+1