(2S)-2-[4-(4-hydroxyphenyl)piperidin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(4-hydroxyphenyl)piperidin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide Openeye Name: (2S)-2-[4-(4-hydroxyphenyl)piperidin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide CAS Name: (2S)-2-[4-(4-hydroxyphenyl)-1-piperidin-1-iumyl]-N-[2-(methylthio)phenyl]propanamide IUPAC Name: (2S)-2-[4-(4-hydroxyphenyl)piperidin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide Traditional Name: (2S)-2-[4-(4-hydroxyphenyl)piperidin-1-ium-1-yl]-N-[2-(methylthio)phenyl]propionamide Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)[NH+]2CCC(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1SC)[NH+]2CCC(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H26N2O2S/c1-15(21(25)22-19-5-3-4-6-20(19)26-2)23-13-11-17(12-14-23)16-7-9-18(24)10-8-16/h3-10,15,17,24H,11-14H2,1-2H3,(H,22,25)/p+1/t15-/m0/s1