2-[[(3S)-3-(dimethylamino)-4-octadecoxy-butyl]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(3S)-3-(dimethylamino)-4-octadecoxy-butyl]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(3S)-3-(dimethylamino)-4-octadecoxy-butyl]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[(3S)-3-(dimethylamino)-4-octadecoxybutyl]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(3S)-3-(dimethylamino)-4-octadecoxybutyl]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(3S)-3-(dimethylamino)-4-stearyloxy-butyl]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C29H64N2O4P+ MolecularWeight: 535.803221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CCP(=O)(O)OCC[N+](C)(C)C)N(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC[C@H](CCP(=O)(O)OCC[N+](C)(C)C)N(C)C

InChI

InChI=1S/C29H63N2O4P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-34-28-29(30(2)3)23-27-36(32,33)35-26-24-31(4,5)6/h29H,7-28H2,1-6H3/p+1/t29-/m0/s1