2-[octadecyl-(phenylmethyl)amino]ethyl 2-(triethylazaniumyl)ethyl phosphate

Systemtic Name: 2-[octadecyl-(phenylmethyl)amino]ethyl 2-(triethylazaniumyl)ethyl phosphate Openeye Name: 2-[benzyl(octadecyl)amino]ethyl 2-(triethylammonio)ethyl phosphate CAS Name: 2-[octadecyl-(phenylmethyl)amino]ethyl 2-(triethylammonio)ethyl phosphate IUPAC Name: 2-[benzyl(octadecyl)amino]ethyl 2-(triethylazaniumyl)ethyl phosphate Traditional Name: 2-[benzyl(stearyl)amino]ethyl 2-(triethylammonio)ethyl phosphate Formula: C35H67N2O4P MolecularWeight: 610.891241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCOP(=O)([O-])OCC[N+](CC)(CC)CC)CC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCOP(=O)([O-])OCC[N+](CC)(CC)CC)CC1=CC=CC=C1

InChI

InChI=1S/C35H67N2O4P/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-36(34-35-27-24-23-25-28-35)30-32-40-42(38,39)41-33-31-37(6-2,7-3)8-4/h23-25,27-28H,5-22,26,29-34H2,1-4H3