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

Systemtic Name: [1-hexadecoxy-3-[(phenylmethyl)amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[(benzylamino)methyl]-2-hexadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-hexadecoxy-3-[(phenylmethyl)amino]propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-(benzylamino)-3-hexadecoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[(benzylamino)methyl]-2-cetyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C31H59N2O5P MolecularWeight: 570.784321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H59N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-36-29-31(28-32-27-30-22-19-18-20-23-30)38-39(34,35)37-26-24-33(2,3)4/h18-20,22-23,31-32H,5-17,21,24-29H2,1-4H3