trimethyl-[4-[3-methylsulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]but-2-ynyl]azanium iodide

Systemtic Name: trimethyl-[4-[3-methylsulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]but-2-ynyl]azanium iodide Openeye Name: trimethyl-[4-(3-methylsulfanyl-2,5-dioxo-pyrrolidin-1-yl)but-2-ynyl]ammonium iodide CAS Name: trimethyl-[4-[3-(methylthio)-2,5-dioxo-1-pyrrolidinyl]but-2-ynyl]ammonium iodide IUPAC Name: trimethyl-[4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)but-2-ynyl]azanium iodide Traditional Name: 4-[2,5-diketo-3-(methylthio)pyrrolidino]but-2-ynyl-trimethyl-ammonium iodide Formula: C12H19IN2O2S MolecularWeight: 382.26093

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC#CCN1C(=O)CC(C1=O)SC.[I-]

Isomeric SMILES

C[N+](C)(C)CC#CCN1C(=O)CC(C1=O)SC.[I-]

InChI

InChI=1S/C12H19N2O2S.HI/c1-14(2,3)8-6-5-7-13-11(15)9-10(17-4)12(13)16;/h10H,7-9H2,1-4H3;1H/q+1;/p-1