[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-[(2-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [4-(methylthio)phenyl]-[(3S)-1-salicylpiperidin-1-ium-3-yl]methanone Formula: C20H24NO2S+ MolecularWeight: 342.47506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=CC=CC=C3O

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=CC=C3O

InChI

InChI=1S/C20H23NO2S/c1-24-18-10-8-15(9-11-18)20(23)17-6-4-12-21(14-17)13-16-5-2-3-7-19(16)22/h2-3,5,7-11,17,22H,4,6,12-14H2,1H3/p+1/t17-/m0/s1