2-[[(3S)-3-(2-methylsulfanylphenyl)carbonylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one

Systemtic Name: 2-[[(3S)-3-(2-methylsulfanylphenyl)carbonylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 2-[[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one CAS Name: 2-[[(3S)-3-[[2-(methylthio)phenyl]-oxomethyl]-1-piperidin-1-iumyl]methyl]-1H-quinolin-4-one IUPAC Name: 2-[[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Traditional Name: 2-[[(3S)-3-[2-(methylthio)benzoyl]piperidin-1-ium-1-yl]methyl]-4-quinolone Formula: C23H25N2O2S+ MolecularWeight: 393.5218

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)C2CCC[NH+](C2)CC3=CC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)[C@H]2CCC[NH+](C2)CC3=CC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H24N2O2S/c1-28-22-11-5-3-9-19(22)23(27)16-7-6-12-25(14-16)15-17-13-21(26)18-8-2-4-10-20(18)24-17/h2-5,8-11,13,16H,6-7,12,14-15H2,1H3,(H,24,26)/p+1/t16-/m0/s1