2-[2-[hexadecyl(phenylmethoxycarbonyl)amino]ethoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[2-[hexadecyl(phenylmethoxycarbonyl)amino]ethoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[2-[benzyloxycarbonyl(hexadecyl)amino]ethoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[2-[hexadecyl(phenylmethoxycarbonyl)amino]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[2-[hexadecyl(phenylmethoxycarbonyl)amino]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[2-[carbobenzoxy(cetyl)amino]ethoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C31H58N2O6P+ MolecularWeight: 585.775781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CCOP(=O)(O)OCC[N+](C)(C)C)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCN(CCOP(=O)(O)OCC[N+](C)(C)C)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C31H57N2O6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-32(31(34)37-29-30-22-19-18-20-23-30)25-27-38-40(35,36)39-28-26-33(2,3)4/h18-20,22-23H,5-17,21,24-29H2,1-4H3/p+1