(Z)-2-cyano-3-[(2S,3R,5S)-1,2,5-trimethyl-4-oxidanylidene-piperidin-1-ium-3-yl]prop-2-enethioamide

Systemtic Name: (Z)-2-cyano-3-[(2S,3R,5S)-1,2,5-trimethyl-4-oxidanylidene-piperidin-1-ium-3-yl]prop-2-enethioamide Openeye Name: (Z)-2-cyano-3-[(2S,3R,5S)-1,2,5-trimethyl-4-oxo-piperidin-1-ium-3-yl]prop-2-enethioamide CAS Name: (Z)-2-cyano-3-[(2S,3R,5S)-1,2,5-trimethyl-4-oxo-3-piperidin-1-iumyl]-2-propenethioamide IUPAC Name: (Z)-2-cyano-3-[(2S,3R,5S)-1,2,5-trimethyl-4-oxopiperidin-1-ium-3-yl]prop-2-enethioamide Traditional Name: (Z)-2-cyano-3-[(2S,3R,5S)-4-keto-1,2,5-trimethyl-piperidin-1-ium-3-yl]thioacrylamide Formula: C12H18N3OS+ MolecularWeight: 252.35582

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](C(C(C1=O)C=C(C#N)C(=S)N)C)C

Isomeric SMILES

C[C@H]1C[NH+]([C@H]([C@H](C1=O)/C=C(/C#N)\C(=S)N)C)C

InChI

InChI=1S/C12H17N3OS/c1-7-6-15(3)8(2)10(11(7)16)4-9(5-13)12(14)17/h4,7-8,10H,6H2,1-3H3,(H2,14,17)/p+1/b9-4-/t7-,8-,10+/m0/s1