(2-methylsulfanylphenyl)-[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (2-methylsulfanylphenyl)-[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]methanone Openeye Name: (2-methylsulfanylphenyl)-[(3S)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]methanone CAS Name: [2-(methylthio)phenyl]-[(3S)-1-(4-thianyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (2-methylsulfanylphenyl)-[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]methanone Traditional Name: [2-(methylthio)phenyl]-[(3S)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]methanone Formula: C18H26NOS2+ MolecularWeight: 336.53514

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)C2CCC[NH+](C2)C3CCSCC3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)[C@H]2CCC[NH+](C2)C3CCSCC3

InChI

InChI=1S/C18H25NOS2/c1-21-17-7-3-2-6-16(17)18(20)14-5-4-10-19(13-14)15-8-11-22-12-9-15/h2-3,6-7,14-15H,4-5,8-13H2,1H3/p+1/t14-/m0/s1