[1-[methylcarbamoyl(octadecyl)amino]-3-octadecoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [1-[methylcarbamoyl(octadecyl)amino]-3-octadecoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[[methylcarbamoyl(octadecyl)amino]methyl]-2-octadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-[methylcarbamoyl(octadecyl)amino]-3-octadecoxypropan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-[methylcarbamoyl(octadecyl)amino]-3-octadecoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[[methylcarbamoyl(stearyl)amino]methyl]-2-stearyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C46H96N3O6P MolecularWeight: 818.244701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CC(COCCCCCCCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C)C(=O)NC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CC(COCCCCCCCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C)C(=O)NC

InChI

InChI=1S/C46H96N3O6P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-48(46(50)47-3)43-45(55-56(51,52)54-42-40-49(4,5)6)44-53-41-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h45H,7-44H2,1-6H3,(H-,47,50,51,52)