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didodecyl-methyl-(1-phenylsulfanylbutyl)azanium iodide

didodecyl-methyl-(1-phenylsulfanylbutyl)azanium iodide

Systemtic Name:didodecyl-methyl-(1-phenylsulfanylbutyl)azanium iodide
Openeye Name:didodecyl-methyl-(1-phenylsulfanylbutyl)ammonium iodide
CAS Name:didodecyl-methyl-[1-(phenylthio)butyl]ammonium iodide
IUPAC Name:didodecyl-methyl-(1-phenylsulfanylbutyl)azanium iodide
Traditional Name:dilauryl-methyl-[1-(phenylthio)butyl]ammonium iodide
Formula: C35H66INS
MolecularWeight: 659.87471
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)C(CCC)SC1=CC=CC=C1.[I-]


Isomeric SMILES

CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)C(CCC)SC1=CC=CC=C1.[I-]


InChI

InChI=1S/C35H66NS.HI/c1-5-8-10-12-14-16-18-20-22-27-32-36(4,33-28-23-21-19-17-15-13-11-9-6-2)35(29-7-3)37-34-30-25-24-26-31-34;/h24-26,30-31,35H,5-23,27-29,32-33H2,1-4H3;1H/q+1;/p-1


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