2-[(2E)-2-nitro-2-piperidin-2-ylidene-ethanoyl]oxyethylsulfanium iodide

Systemtic Name: 2-[(2E)-2-nitro-2-piperidin-2-ylidene-ethanoyl]oxyethylsulfanium iodide Openeye Name: 2-[(2E)-2-nitro-2-(2-piperidylidene)acetyl]oxyethylsulfonium iodide CAS Name: 2-[(2E)-2-nitro-1-oxo-2-(2-piperidinylidene)ethoxy]ethylsulfonium iodide IUPAC Name: 2-[(2E)-2-nitro-2-piperidin-2-ylideneacetyl]oxyethylsulfanium iodide Traditional Name: 2-[(2E)-2-nitro-2-(2-piperidylidene)acetyl]oxyethylsulfonium iodide Formula: C9H15IN2O4S MolecularWeight: 374.19587

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=C(C(=O)OCC[SH2+])[N+](=O)[O-])C1.[I-]

Isomeric SMILES

C1CCN/C(=C(\C(=O)OCC[SH2+])/[N+](=O)[O-])/C1.[I-]

InChI

InChI=1S/C9H14N2O4S.HI/c12-9(15-5-6-16)8(11(13)14)7-3-1-2-4-10-7;/h10,16H,1-6H2;1H/b8-7+;