(2-methylsulfanylphenyl)-[(3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (2-methylsulfanylphenyl)-[(3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (2-methylsulfanylphenyl)-[(3S)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: [2-(methylthio)phenyl]-[(3S)-1-(3-pyridinylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (2-methylsulfanylphenyl)-[(3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: [2-(methylthio)phenyl]-[(3S)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]methanone Formula: C19H23N2OS+ MolecularWeight: 327.46372

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)C2CCC[NH+](C2)CC3=CN=CC=C3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)[C@H]2CCC[NH+](C2)CC3=CN=CC=C3

InChI

InChI=1S/C19H22N2OS/c1-23-18-9-3-2-8-17(18)19(22)16-7-5-11-21(14-16)13-15-6-4-10-20-12-15/h2-4,6,8-10,12,16H,5,7,11,13-14H2,1H3/p+1/t16-/m0/s1