(2S)-2-(3-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethanethioamide

Systemtic Name: (2S)-2-(3-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethanethioamide Openeye Name: (2S)-2-(3-methoxyphenyl)-2-piperidin-1-ium-1-yl-thioacetamide CAS Name: (2S)-2-(3-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethanethioamide IUPAC Name: (2S)-2-(3-methoxyphenyl)-2-piperidin-1-ium-1-ylethanethioamide Traditional Name: (2S)-2-(3-methoxyphenyl)-2-piperidin-1-ium-1-yl-thioacetamide Formula: C14H21N2OS+ MolecularWeight: 265.39434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C(=S)N)[NH+]2CCCCC2

Isomeric SMILES

COC1=CC=CC(=C1)[C@@H](C(=S)N)[NH+]2CCCCC2

InChI

InChI=1S/C14H20N2OS/c1-17-12-7-5-6-11(10-12)13(14(15)18)16-8-3-2-4-9-16/h5-7,10,13H,2-4,8-9H2,1H3,(H2,15,18)/p+1/t13-/m0/s1