2-methylsulfanyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-methylsulfanyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]ethanamide Openeye Name: 2-methylsulfanyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]acetamide CAS Name: 2-(methylthio)-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-methylsulfanyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]acetamide Traditional Name: 2-(methylthio)-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]acetamide Formula: C14H22N3OS+ MolecularWeight: 280.40898

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)NC1CCC[NH+](C1)CC2=CC=CC=N2

Isomeric SMILES

CSCC(=O)N[C@H]1CCC[NH+](C1)CC2=CC=CC=N2

InChI

InChI=1S/C14H21N3OS/c1-19-11-14(18)16-13-6-4-8-17(10-13)9-12-5-2-3-7-15-12/h2-3,5,7,13H,4,6,8-11H2,1H3,(H,16,18)/p+1/t13-/m0/s1