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

Systemtic Name: 1-[4-[[(3S)-3-(2-methylsulfanylphenyl)carbonylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Openeye Name: 1-[4-[[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-ium-1-yl]methyl]-2-thienyl]ethanone CAS Name: 1-[4-[[(3S)-3-[[2-(methylthio)phenyl]-oxomethyl]-1-piperidin-1-iumyl]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[4-[[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Traditional Name: 1-[4-[[(3S)-3-[2-(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=CC=C3SC

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C20H23NO2S2/c1-14(22)19-10-15(13-25-19)11-21-9-5-6-16(12-21)20(23)17-7-3-4-8-18(17)24-2/h3-4,7-8,10,13,16H,5-6,9,11-12H2,1-2H3/p+1/t16-/m0/s1