[(2S)-3-(3-ethoxycarbonyl-2-ethoxycarbonylsulfanyl-imidazol-4-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]-trimethyl-azanium iodide

Systemtic Name: [(2S)-3-(3-ethoxycarbonyl-2-ethoxycarbonylsulfanyl-imidazol-4-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]-trimethyl-azanium iodide Openeye Name: [(1S)-1-[(3-ethoxycarbonyl-2-ethoxycarbonylsulfanyl-imidazol-4-yl)methyl]-2-methoxy-2-oxo-ethyl]-trimethyl-ammonium iodide CAS Name: [(2S)-3-[3-ethoxycarbonyl-2-(ethoxycarbonylthio)-4-imidazolyl]-1-methoxy-1-oxopropan-2-yl]-trimethylammonium iodide IUPAC Name: [(2S)-3-(3-ethoxycarbonyl-2-ethoxycarbonylsulfanylimidazol-4-yl)-1-methoxy-1-oxopropan-2-yl]-trimethylazanium iodide Traditional Name: [(1S)-1-[[3-carbethoxy-2-(carbethoxythio)imidazol-4-yl]methyl]-2-keto-2-methoxy-ethyl]-trimethyl-ammonium iodide Formula: C16H26IN3O6S MolecularWeight: 515.36361

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(=CN=C1SC(=O)OCC)CC(C(=O)OC)[N+](C)(C)C.[I-]

Isomeric SMILES

CCOC(=O)N1C(=CN=C1SC(=O)OCC)C[C@@H](C(=O)OC)[N+](C)(C)C.[I-]

InChI

InChI=1S/C16H26N3O6S.HI/c1-7-24-15(21)18-11(9-12(13(20)23-6)19(3,4)5)10-17-14(18)26-16(22)25-8-2;/h10,12H,7-9H2,1-6H3;1H/q+1;/p-1/t12-;/m0./s1