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

Systemtic Name: 2-methylsulfanyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]benzamide Openeye Name: 2-methylsulfanyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]benzamide CAS Name: 2-(methylthio)-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]benzamide IUPAC Name: 2-methylsulfanyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]benzamide Traditional Name: 2-(methylthio)-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]benzamide Formula: C19H24N3OS+ MolecularWeight: 342.47836

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NC2CCC[NH+](C2)CC3=CC=CC=N3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=N3

InChI

InChI=1S/C19H23N3OS/c1-24-18-10-3-2-9-17(18)19(23)21-16-8-6-12-22(14-16)13-15-7-4-5-11-20-15/h2-5,7,9-11,16H,6,8,12-14H2,1H3,(H,21,23)/p+1/t16-/m0/s1