2-[[1-hexadecoxy-3-[[2-(4-methylphenyl)-2-oxidanylidene-ethyl]amino]propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[1-hexadecoxy-3-[[2-(4-methylphenyl)-2-oxidanylidene-ethyl]amino]propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[1-(hexadecoxymethyl)-2-[[2-oxo-2-(p-tolyl)ethyl]amino]ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[1-hexadecoxy-3-[[2-(4-methylphenyl)-2-oxoethyl]amino]propan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[1-hexadecoxy-3-[[2-(4-methylphenyl)-2-oxoethyl]amino]propan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[1-(cetyloxymethyl)-2-[[2-keto-2-(p-tolyl)ethyl]amino]ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C33H62N2O6P+ MolecularWeight: 613.828941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H61N2O6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-39-29-32(41-42(37,38)40-26-24-35(3,4)5)27-34-28-33(36)31-22-20-30(2)21-23-31/h20-23,32,34H,6-19,24-29H2,1-5H3/p+1