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

Systemtic Name: N-(2-hydroxyethyl)-2-[(2R)-3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(2-hydroxyethyl)-2-[(2R)-3-oxo-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]-N-(2-thienylmethyl)acetamide CAS Name: N-(2-hydroxyethyl)-2-[(2R)-3-oxo-1-(2-pyridinylmethyl)-2-piperazin-1-iumyl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(2-hydroxyethyl)-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: N-(2-hydroxyethyl)-2-[(2R)-3-keto-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]-N-(2-thenyl)acetamide Formula: C19H25N4O3S+ MolecularWeight: 389.4918

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)N(CCO)CC2=CC=CS2)CC3=CC=CC=N3

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)N(CCO)CC2=CC=CS2)CC3=CC=CC=N3

InChI

InChI=1S/C19H24N4O3S/c24-10-9-23(14-16-5-3-11-27-16)18(25)12-17-19(26)21-7-8-22(17)13-15-4-1-2-6-20-15/h1-6,11,17,24H,7-10,12-14H2,(H,21,26)/p+1/t17-/m1/s1