2-[[1-hexadecoxy-3-(phenylcarbamoylamino)propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[1-hexadecoxy-3-(phenylcarbamoylamino)propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[1-(hexadecoxymethyl)-2-(phenylcarbamoylamino)ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[1-[[anilino(oxo)methyl]amino]-3-hexadecoxypropan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[1-hexadecoxy-3-(phenylcarbamoylamino)propan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[1-(cetyloxymethyl)-2-(phenylcarbamoylamino)ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C31H59N3O6P+ MolecularWeight: 600.790421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CNC(=O)NC1=CC=CC=C1)OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CNC(=O)NC1=CC=CC=C1)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C31H58N3O6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-38-28-30(40-41(36,37)39-26-24-34(2,3)4)27-32-31(35)33-29-22-19-18-20-23-29/h18-20,22-23,30H,5-17,21,24-28H2,1-4H3,(H2-,32,33,35,36,37)/p+1