ethyl 2-[(2R)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]ethanoate

Systemtic Name: ethyl 2-[(2R)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]ethanoate Openeye Name: ethyl 2-[(2R)-3-oxo-1-(2-thienylmethyl)piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)-2-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-1-(2-thenyl)piperazin-1-ium-2-yl]acetic acid ethyl ester Formula: C13H19N2O3S+ MolecularWeight: 283.36656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCC[NH+]1CC2=CC=CS2

Isomeric SMILES

CCOC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CC=CS2

InChI

InChI=1S/C13H18N2O3S/c1-2-18-12(16)8-11-13(17)14-5-6-15(11)9-10-4-3-7-19-10/h3-4,7,11H,2,5-6,8-9H2,1H3,(H,14,17)/p+1/t11-/m1/s1