[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-[(3-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-(3-hydroxybenzyl)piperidin-1-ium-3-yl]-[2-(methylthio)phenyl]methanone Formula: C20H24NO2S+ MolecularWeight: 342.47506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO2S/c1-24-19-10-3-2-9-18(19)20(23)16-7-5-11-21(14-16)13-15-6-4-8-17(22)12-15/h2-4,6,8-10,12,16,22H,5,7,11,13-14H2,1H3/p+1/t16-/m0/s1