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

Systemtic Name: N-(3-methylsulfanylpropyl)-2-[(2R)-3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(3-methylsulfanylpropyl)-2-[(2R)-3-oxo-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-[3-(methylthio)propyl]-2-[(2R)-3-oxo-1-(2-pyridinylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-methylsulfanylpropyl)-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]-N-[3-(methylthio)propyl]acetamide Formula: C16H25N4O2S+ MolecularWeight: 337.4603

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=O)CC1C(=O)NCC[NH+]1CC2=CC=CC=N2

Isomeric SMILES

CSCCCNC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CC=CC=N2

InChI

InChI=1S/C16H24N4O2S/c1-23-10-4-7-18-15(21)11-14-16(22)19-8-9-20(14)12-13-5-2-3-6-17-13/h2-3,5-6,14H,4,7-12H2,1H3,(H,18,21)(H,19,22)/p+1/t14-/m1/s1