2-[(2R)-3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]-N-(2-thiophen-2-ylethyl)ethanamide

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]-N-(2-thiophen-2-ylethyl)ethanamide Openeye Name: 2-[(2R)-3-oxo-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]-N-[2-(2-thienyl)ethyl]acetamide CAS Name: 2-[(2R)-3-oxo-1-(3-pyridinylmethyl)-2-piperazin-1-iumyl]-N-(2-thiophen-2-ylethyl)acetamide IUPAC Name: 2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]-N-(2-thiophen-2-ylethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]-N-[2-(2-thienyl)ethyl]acetamide Formula: C18H23N4O2S+ MolecularWeight: 359.46582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCCC2=CC=CS2)CC3=CN=CC=C3

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCCC2=CC=CS2)CC3=CN=CC=C3

InChI

InChI=1S/C18H22N4O2S/c23-17(20-7-5-15-4-2-10-25-15)11-16-18(24)21-8-9-22(16)13-14-3-1-6-19-12-14/h1-4,6,10,12,16H,5,7-9,11,13H2,(H,20,23)(H,21,24)/p+1/t16-/m1/s1