2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanethioamide

Systemtic Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanethioamide Openeye Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]thioacetamide CAS Name: 2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]ethanethioamide IUPAC Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanethioamide Traditional Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]thioacetamide Formula: C9H19N2S+ MolecularWeight: 187.32556

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=S)N)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC(=S)N)C

InChI

InChI=1S/C9H18N2S/c1-7-3-8(2)5-11(4-7)6-9(10)12/h7-8H,3-6H2,1-2H3,(H2,10,12)/p+1/t7-,8-/m0/s1