2-[(1-acetamido-3-hexadecoxy-propan-2-yl)oxy-oxidanyl-phosphoryl]oxyethyl-butyl-dimethyl-azanium

Systemtic Name: 2-[(1-acetamido-3-hexadecoxy-propan-2-yl)oxy-oxidanyl-phosphoryl]oxyethyl-butyl-dimethyl-azanium Openeye Name: 2-[[1-(acetamidomethyl)-2-hexadecoxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-butyl-dimethyl-ammonium CAS Name: 2-[(1-acetamido-3-hexadecoxypropan-2-yl)oxy-hydroxyphosphoryl]oxyethyl-butyl-dimethylammonium IUPAC Name: 2-[(1-acetamido-3-hexadecoxypropan-2-yl)oxy-hydroxyphosphoryl]oxyethyl-butyl-dimethylazanium Traditional Name: 2-[[1-(acetamidomethyl)-2-cetyloxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-butyl-dimethyl-ammonium Formula: C29H62N2O6P+ MolecularWeight: 565.786141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CNC(=O)C)OP(=O)(O)OCC[N+](C)(C)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CNC(=O)C)OP(=O)(O)OCC[N+](C)(C)CCCC

InChI

InChI=1S/C29H61N2O6P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-24-35-27-29(26-30-28(3)32)37-38(33,34)36-25-23-31(4,5)22-9-7-2/h29H,6-27H2,1-5H3,(H-,30,32,33,34)/p+1