4-[octadecyl(phenylmethoxycarbonyl)amino]butyl 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: 4-[octadecyl(phenylmethoxycarbonyl)amino]butyl 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: 4-[benzyloxycarbonyl(octadecyl)amino]butyl 2-(trimethylammonio)ethyl phosphate CAS Name: 4-[octadecyl(phenylmethoxycarbonyl)amino]butyl 2-(trimethylammonio)ethyl phosphate IUPAC Name: 4-[octadecyl(phenylmethoxycarbonyl)amino]butyl 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: 4-[carbobenzoxy(stearyl)amino]butyl 2-(trimethylammonio)ethyl phosphate Formula: C35H65N2O6P MolecularWeight: 640.874161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCOP(=O)([O-])OCC[N+](C)(C)C)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCOP(=O)([O-])OCC[N+](C)(C)C)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C35H65N2O6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-36(35(38)41-33-34-26-21-20-22-27-34)29-24-25-31-42-44(39,40)43-32-30-37(2,3)4/h20-22,26-27H,5-19,23-25,28-33H2,1-4H3