(2S)-2-(2,3-dimethoxyphenyl)-2-piperidin-1-ium-1-yl-ethanethioamide

Systemtic Name: (2S)-2-(2,3-dimethoxyphenyl)-2-piperidin-1-ium-1-yl-ethanethioamide Openeye Name: (2S)-2-(2,3-dimethoxyphenyl)-2-piperidin-1-ium-1-yl-thioacetamide CAS Name: (2S)-2-(2,3-dimethoxyphenyl)-2-(1-piperidin-1-iumyl)ethanethioamide IUPAC Name: (2S)-2-(2,3-dimethoxyphenyl)-2-piperidin-1-ium-1-ylethanethioamide Traditional Name: (2S)-2-(2,3-dimethoxyphenyl)-2-piperidin-1-ium-1-yl-thioacetamide Formula: C15H23N2O2S+ MolecularWeight: 295.42032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C(=S)N)[NH+]2CCCCC2

Isomeric SMILES

COC1=CC=CC(=C1OC)[C@@H](C(=S)N)[NH+]2CCCCC2

InChI

InChI=1S/C15H22N2O2S/c1-18-12-8-6-7-11(14(12)19-2)13(15(16)20)17-9-4-3-5-10-17/h6-8,13H,3-5,9-10H2,1-2H3,(H2,16,20)/p+1/t13-/m0/s1