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

Systemtic Name: [1-octadecoxy-3-[(phenylmethyl)amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[(benzylamino)methyl]-2-octadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-octadecoxy-3-[(phenylmethyl)amino]propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-(benzylamino)-3-octadecoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[(benzylamino)methyl]-2-stearyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C33H63N2O5P MolecularWeight: 598.837481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CNCC1=CC=CC=C1)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CNCC1=CC=CC=C1)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C33H63N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-38-31-33(30-34-29-32-24-21-20-22-25-32)40-41(36,37)39-28-26-35(2,3)4/h20-22,24-25,33-34H,5-19,23,26-31H2,1-4H3