[(3S)-1-[(4-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-[(4-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-[(4-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-[(4-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-[(4-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-(4-hydroxybenzyl)piperidin-1-ium-3-yl]-[4-(methylthio)phenyl]methanone Formula: C20H24NO2S+ MolecularWeight: 342.47506

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=CC=C(C=C3)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)O

InChI

InChI=1S/C20H23NO2S/c1-24-19-10-6-16(7-11-19)20(23)17-3-2-12-21(14-17)13-15-4-8-18(22)9-5-15/h4-11,17,22H,2-3,12-14H2,1H3/p+1/t17-/m0/s1