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didodecyl-methyl-(1-phenylsulfanylbutyl)azanium

didodecyl-methyl-(1-phenylsulfanylbutyl)azanium

Systemtic Name:didodecyl-methyl-(1-phenylsulfanylbutyl)azanium
Openeye Name:didodecyl-methyl-(1-phenylsulfanylbutyl)ammonium
CAS Name:didodecyl-methyl-[1-(phenylthio)butyl]ammonium
IUPAC Name:didodecyl-methyl-(1-phenylsulfanylbutyl)azanium
Traditional Name:dilauryl-methyl-[1-(phenylthio)butyl]ammonium
Formula: C35H66NS+
MolecularWeight: 532.97024
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C35H66NS/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/q+1


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