3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanethioamide

Systemtic Name: 3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanethioamide Openeye Name: 3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanethioamide CAS Name: 3-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]propanethioamide IUPAC Name: 3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanethioamide Traditional Name: 3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]thiopropionamide Formula: C10H21N2S+ MolecularWeight: 201.35214

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CCC(=S)N)C

Isomeric SMILES

C[C@H]1CCC[C@@H]([NH+]1CCC(=S)N)C

InChI

InChI=1S/C10H20N2S/c1-8-4-3-5-9(2)12(8)7-6-10(11)13/h8-9H,3-7H2,1-2H3,(H2,11,13)/p+1/t8-,9-/m0/s1