methyl 3-[1-(2-azanylpropanoyl)-2-ethoxycarbonyl-pyrrolidin-1-ium-1-yl]carbonylpyridine-2-carboxylate

Systemtic Name: methyl 3-[1-(2-azanylpropanoyl)-2-ethoxycarbonyl-pyrrolidin-1-ium-1-yl]carbonylpyridine-2-carboxylate Openeye Name: methyl 3-[1-(2-aminopropanoyl)-2-ethoxycarbonyl-pyrrolidin-1-ium-1-carbonyl]pyridine-2-carboxylate CAS Name: 3-[[1-(2-amino-1-oxopropyl)-2-ethoxycarbonyl-1-pyrrolidin-1-iumyl]-oxomethyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[1-(2-aminopropanoyl)-2-ethoxycarbonylpyrrolidin-1-ium-1-carbonyl]pyridine-2-carboxylate Traditional Name: 3-(1-alanyl-2-carbethoxy-pyrrolidin-1-ium-1-carbonyl)picolinic acid methyl ester Formula: C18H24N3O6+ MolecularWeight: 378.39966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[N+]1(C(=O)C2=C(N=CC=C2)C(=O)OC)C(=O)C(C)N

Isomeric SMILES

CCOC(=O)C1CCC[N+]1(C(=O)C2=C(N=CC=C2)C(=O)OC)C(=O)C(C)N

InChI

InChI=1S/C18H24N3O6/c1-4-27-17(24)13-8-6-10-21(13,15(22)11(2)19)16(23)12-7-5-9-20-14(12)18(25)26-3/h5,7,9,11,13H,4,6,8,10,19H2,1-3H3/q+1