S-(2-ethyl-4-oxidanylidene-azetidin-3-yl) 2-piperidin-1-ium-1-ylideneethanethioate

Systemtic Name: S-(2-ethyl-4-oxidanylidene-azetidin-3-yl) 2-piperidin-1-ium-1-ylideneethanethioate Openeye Name: S-(2-ethyl-4-oxo-azetidin-3-yl) 2-piperidin-1-ium-1-ylideneethanethioate CAS Name: 2-(1-piperidin-1-iumylidene)ethanethioic acid S-(2-ethyl-4-oxo-3-azetidinyl) ester IUPAC Name: S-(2-ethyl-4-oxoazetidin-3-yl) 2-piperidin-1-ium-1-ylideneethanethioate Traditional Name: 2-piperidin-1-ium-1-ylideneethanethioic acid S-(2-ethyl-4-keto-azetidin-3-yl) ester Formula: C12H19N2O2S+ MolecularWeight: 255.35646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(=O)N1)SC(=O)C=[N+]2CCCCC2

Isomeric SMILES

CCC1C(C(=O)N1)SC(=O)C=[N+]2CCCCC2

InChI

InChI=1S/C12H18N2O2S/c1-2-9-11(12(16)13-9)17-10(15)8-14-6-4-3-5-7-14/h8-9,11H,2-7H2,1H3/p+1