(2S)-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ium-1-yl-ethanethioamide

Systemtic Name: (2S)-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ium-1-yl-ethanethioamide Openeye Name: (2S)-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ium-1-yl-thioacetamide CAS Name: (2S)-2-(3,4-dimethoxyphenyl)-2-(1-piperidin-1-iumyl)ethanethioamide IUPAC Name: (2S)-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ium-1-ylethanethioamide Traditional Name: (2S)-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ium-1-yl-thioacetamide Formula: C15H23N2O2S+ MolecularWeight: 295.42032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O2S/c1-18-12-7-6-11(10-13(12)19-2)14(15(16)20)17-8-4-3-5-9-17/h6-7,10,14H,3-5,8-9H2,1-2H3,(H2,16,20)/p+1/t14-/m0/s1