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

Systemtic Name: 1-(2-azanylpropanoyl)-1-(2-ethoxypyridin-3-yl)carbonyl-pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-(2-aminopropanoyl)-1-(2-ethoxypyridine-3-carbonyl)pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-(2-amino-1-oxopropyl)-1-[(2-ethoxy-3-pyridinyl)-oxomethyl]-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-(2-aminopropanoyl)-1-(2-ethoxypyridine-3-carbonyl)pyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-alanyl-1-(2-ethoxynicotinoyl)pyrrolidin-1-ium-2-carboxylic acid Formula: C16H22N3O5+ MolecularWeight: 336.36298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)[N+]2(CCCC2C(=O)O)C(=O)C(C)N

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)[N+]2(CCCC2C(=O)O)C(=O)C(C)N

InChI

InChI=1S/C16H21N3O5/c1-3-24-13-11(6-4-8-18-13)15(21)19(14(20)10(2)17)9-5-7-12(19)16(22)23/h4,6,8,10,12H,3,5,7,9,17H2,1-2H3/p+1