N-[4-[[(3S)-3-(4-methylsulfanylphenyl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[(3S)-3-(4-methylsulfanylphenyl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[(3S)-3-(4-methylsulfanylbenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[(3S)-3-[[4-(methylthio)phenyl]-oxomethyl]-1-piperidin-1-iumyl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[(3S)-3-(4-methylsulfanylbenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[(3S)-3-[4-(methylthio)benzoyl]piperidin-1-ium-1-yl]methyl]phenyl]acetamide Formula: C22H27N2O2S+ MolecularWeight: 383.52698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCCC(C2)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H26N2O2S/c1-16(25)23-20-9-5-17(6-10-20)14-24-13-3-4-19(15-24)22(26)18-7-11-21(27-2)12-8-18/h5-12,19H,3-4,13-15H2,1-2H3,(H,23,25)/p+1/t19-/m0/s1