ethyl 6-[1-(2-azanylpropanoyl)-2-ethoxycarbonyl-pyrrolidin-1-ium-1-yl]carbonylpyridine-2-carboxylate

Systemtic Name: ethyl 6-[1-(2-azanylpropanoyl)-2-ethoxycarbonyl-pyrrolidin-1-ium-1-yl]carbonylpyridine-2-carboxylate Openeye Name: ethyl 6-[1-(2-aminopropanoyl)-2-ethoxycarbonyl-pyrrolidin-1-ium-1-carbonyl]pyridine-2-carboxylate CAS Name: 6-[[1-(2-amino-1-oxopropyl)-2-ethoxycarbonyl-1-pyrrolidin-1-iumyl]-oxomethyl]-2-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[1-(2-aminopropanoyl)-2-ethoxycarbonylpyrrolidin-1-ium-1-carbonyl]pyridine-2-carboxylate Traditional Name: 6-(1-alanyl-2-carbethoxy-pyrrolidin-1-ium-1-carbonyl)picolinic acid ethyl ester Formula: C19H26N3O6+ MolecularWeight: 392.42624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N3O6/c1-4-27-18(25)14-9-6-8-13(21-14)17(24)22(16(23)12(3)20)11-7-10-15(22)19(26)28-5-2/h6,8-9,12,15H,4-5,7,10-11,20H2,1-3H3/q+1