1-[4-[[(3R)-3-(4-methylsulfanylphenyl)carbonylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone

Systemtic Name: 1-[4-[[(3R)-3-(4-methylsulfanylphenyl)carbonylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Openeye Name: 1-[4-[[(3R)-3-(4-methylsulfanylbenzoyl)piperidin-1-ium-1-yl]methyl]-2-thienyl]ethanone CAS Name: 1-[4-[[(3R)-3-[[4-(methylthio)phenyl]-oxomethyl]-1-piperidin-1-iumyl]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[4-[[(3R)-3-(4-methylsulfanylbenzoyl)piperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Traditional Name: 1-[4-[[(3R)-3-[4-(methylthio)benzoyl]piperidin-1-ium-1-yl]methyl]-2-thienyl]ethanone Formula: C20H24NO2S2+ MolecularWeight: 374.54006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCCC(C2)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CCC[C@H](C2)C(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H23NO2S2/c1-14(22)19-10-15(13-25-19)11-21-9-3-4-17(12-21)20(23)16-5-7-18(24-2)8-6-16/h5-8,10,13,17H,3-4,9,11-12H2,1-2H3/p+1/t17-/m1/s1