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

Systemtic Name: 2-(dimethylazaniumyl)ethyl 2-[octadecyl-(phenylmethyl)amino]ethyl phosphate Openeye Name: 2-[benzyl(octadecyl)amino]ethyl 2-(dimethylammonio)ethyl phosphate CAS Name: 2-(dimethylammonio)ethyl 2-[octadecyl-(phenylmethyl)amino]ethyl phosphate IUPAC Name: 2-[benzyl(octadecyl)amino]ethyl 2-(dimethylazaniumyl)ethyl phosphate Traditional Name: 2-[benzyl(stearyl)amino]ethyl 2-(dimethylammonio)ethyl phosphate Formula: C31H59N2O4P MolecularWeight: 554.784921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H59N2O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-33(30-31-23-20-19-21-24-31)27-29-37-38(34,35)36-28-26-32(2)3/h19-21,23-24H,4-18,22,25-30H2,1-3H3,(H,34,35)