[2-heptoxy-3-(octadecanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-heptoxy-3-(octadecanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-heptoxy-3-(octadecanoylamino)propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-heptoxy-3-(1-oxooctadecylamino)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-heptoxy-3-(octadecanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: (2-heptoxy-3-stearamido-propyl) 2-(trimethylammonio)ethyl phosphate Formula: C33H69N2O6P MolecularWeight: 620.884521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCC

InChI

InChI=1S/C33H69N2O6P/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-22-24-26-33(36)34-30-32(39-28-25-23-11-9-7-2)31-41-42(37,38)40-29-27-35(3,4)5/h32H,6-31H2,1-5H3,(H-,34,36,37,38)