[(3S)-1-cyclohexylpiperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-cyclohexylpiperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-cyclohexylpiperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-cyclohexyl-3-piperidin-1-iumyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-cyclohexylpiperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-cyclohexylpiperidin-1-ium-3-yl]-[2-(methylthio)phenyl]methanone Formula: C19H28NOS+ MolecularWeight: 318.49672

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)C2CCC[NH+](C2)C3CCCCC3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)[C@H]2CCC[NH+](C2)C3CCCCC3

InChI

InChI=1S/C19H27NOS/c1-22-18-12-6-5-11-17(18)19(21)15-8-7-13-20(14-15)16-9-3-2-4-10-16/h5-6,11-12,15-16H,2-4,7-10,13-14H2,1H3/p+1/t15-/m0/s1