[2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate Openeye Name: [2-oxo-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl] 2-morpholinopyridin-1-ium-3-carboxylate CAS Name: 2-(4-morpholinyl)-3-pyridin-1-iumcarboxylic acid [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate Traditional Name: 2-morpholinopyridin-1-ium-3-carboxylic acid [2-keto-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl] ester Formula: C18H22N3O4S+ MolecularWeight: 376.44998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)COC(=O)C2=C([NH+]=CC=C2)N3CCOCC3

Isomeric SMILES

C[C@H](C1=CC=CS1)NC(=O)COC(=O)C2=C([NH+]=CC=C2)N3CCOCC3

InChI

InChI=1S/C18H21N3O4S/c1-13(15-5-3-11-26-15)20-16(22)12-25-18(23)14-4-2-6-19-17(14)21-7-9-24-10-8-21/h2-6,11,13H,7-10,12H2,1H3,(H,20,22)/p+1/t13-/m1/s1