trimethyl-[2-[11-(phenylmethylsulfanyl)carbothioylsulfanylundecanoyloxy]ethyl]azanium iodide

Systemtic Name: trimethyl-[2-[11-(phenylmethylsulfanyl)carbothioylsulfanylundecanoyloxy]ethyl]azanium iodide Openeye Name: 2-(11-benzylsulfanylcarbothioylsulfanylundecanoyloxy)ethyl-trimethyl-ammonium iodide CAS Name: trimethyl-[2-[1-oxo-11-[[(phenylmethylthio)-sulfanylidenemethyl]thio]undecoxy]ethyl]ammonium iodide IUPAC Name: 2-(11-benzylsulfanylcarbothioylsulfanylundecanoyloxy)ethyl-trimethylazanium iodide Traditional Name: 2-[11-[(benzylthio)carbothioylthio]undecanoyloxy]ethyl-trimethyl-ammonium iodide Formula: C24H40INO2S3 MolecularWeight: 597.67937

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOC(=O)CCCCCCCCCCSC(=S)SCC1=CC=CC=C1.[I-]

Isomeric SMILES

C[N+](C)(C)CCOC(=O)CCCCCCCCCCSC(=S)SCC1=CC=CC=C1.[I-]

InChI

InChI=1S/C24H40NO2S3.HI/c1-25(2,3)18-19-27-23(26)17-13-8-6-4-5-7-9-14-20-29-24(28)30-21-22-15-11-10-12-16-22;/h10-12,15-16H,4-9,13-14,17-21H2,1-3H3;1H/q+1;/p-1