dimethyl-[1-[(2E)-2-nitro-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanoyl]oxyethyl]sulfanium iodide

Systemtic Name: dimethyl-[1-[(2E)-2-nitro-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanoyl]oxyethyl]sulfanium iodide Openeye Name: 1-[(2E)-2-(1-allylimidazolidin-2-ylidene)-2-nitro-acetyl]oxyethyl-dimethyl-sulfonium iodide CAS Name: dimethyl-[1-[(2E)-2-nitro-1-oxo-2-(1-prop-2-enyl-2-imidazolidinylidene)ethoxy]ethyl]sulfonium iodide IUPAC Name: dimethyl-[1-[(2E)-2-nitro-2-(1-prop-2-enylimidazolidin-2-ylidene)acetyl]oxyethyl]sulfanium iodide Traditional Name: 1-[(2E)-2-(1-allylimidazolidin-2-ylidene)-2-nitro-acetyl]oxyethyl-dimethyl-sulfonium iodide Formula: C12H20IN3O4S MolecularWeight: 429.27437

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)C(=C1NCCN1CC=C)[N+](=O)[O-])[S+](C)C.[I-]

Isomeric SMILES

CC(OC(=O)/C(=C\1/NCCN1CC=C)/[N+](=O)[O-])[S+](C)C.[I-]

InChI

InChI=1S/C12H19N3O4S.HI/c1-5-7-14-8-6-13-11(14)10(15(17)18)12(16)19-9(2)20(3)4;/h5,9H,1,6-8H2,2-4H3;1H