2-[2-[icosyl(methylcarbamothioyl)amino]ethoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[2-[icosyl(methylcarbamothioyl)amino]ethoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[hydroxy-[2-[icosyl(methylcarbamothioyl)amino]ethoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[2-[eicosyl-[methylamino(sulfanylidene)methyl]amino]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[2-[icosyl(methylcarbamothioyl)amino]ethoxy]phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[2-[arachyl(methylthiocarbamoyl)amino]ethoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C29H63N3O4PS+ MolecularWeight: 580.866981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCN(CCOP(=O)(O)OCC[N+](C)(C)C)C(=S)NC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCN(CCOP(=O)(O)OCC[N+](C)(C)C)C(=S)NC

InChI

InChI=1S/C29H62N3O4PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-31(29(38)30-2)25-27-35-37(33,34)36-28-26-32(3,4)5/h6-28H2,1-5H3,(H-,30,33,34,38)/p+1