4-[methylcarbamothioyl(octadecyl)amino]butyl 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: 4-[methylcarbamothioyl(octadecyl)amino]butyl 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: 4-[methylcarbamothioyl(octadecyl)amino]butyl 2-(trimethylammonio)ethyl phosphate CAS Name: 4-[[methylamino(sulfanylidene)methyl]-octadecylamino]butyl 2-(trimethylammonio)ethyl phosphate IUPAC Name: 4-[methylcarbamothioyl(octadecyl)amino]butyl 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: 4-[methylthiocarbamoyl(stearyl)amino]butyl 2-(trimethylammonio)ethyl phosphate Formula: C29H62N3O4PS MolecularWeight: 579.859041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCOP(=O)([O-])OCC[N+](C)(C)C)C(=S)NC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCOP(=O)([O-])OCC[N+](C)(C)C)C(=S)NC

InChI

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