ethyl 1-(2-acetamidopyridin-4-yl)carbonyl-1-(2-azanylpropanoyl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: ethyl 1-(2-acetamidopyridin-4-yl)carbonyl-1-(2-azanylpropanoyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: ethyl 1-(2-acetamidopyridine-4-carbonyl)-1-(2-aminopropanoyl)pyrrolidin-1-ium-2-carboxylate CAS Name: 1-[(2-acetamido-4-pyridinyl)-oxomethyl]-1-(2-amino-1-oxopropyl)-2-pyrrolidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-acetamidopyridine-4-carbonyl)-1-(2-aminopropanoyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: 1-(2-acetamidoisonicotinoyl)-1-alanyl-pyrrolidin-1-ium-2-carboxylic acid ethyl ester Formula: C18H25N4O5+ MolecularWeight: 377.4149

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O5/c1-4-27-18(26)14-6-5-9-22(14,16(24)11(2)19)17(25)13-7-8-20-15(10-13)21-12(3)23/h7-8,10-11,14H,4-6,9,19H2,1-3H3/p+1