2-(trimethylazaniumyl)ethyl [1,2,2-tris(oxidanyl)-4-oxidanylidene-heptadecan-3-yl] phosphate

Systemtic Name: 2-(trimethylazaniumyl)ethyl [1,2,2-tris(oxidanyl)-4-oxidanylidene-heptadecan-3-yl] phosphate Openeye Name: [2-oxo-1-(1,1,2-trihydroxyethyl)pentadecyl] 2-(trimethylammonio)ethyl phosphate CAS Name: (1,2,2-trihydroxy-4-oxoheptadecan-3-yl) 2-(trimethylammonio)ethyl phosphate IUPAC Name: (1,2,2-trihydroxy-4-oxoheptadecan-3-yl) 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-keto-1-(1,1,2-trihydroxyethyl)pentadecyl] 2-(trimethylammonio)ethyl phosphate Formula: C22H46NO8P MolecularWeight: 483.576301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)C(C(CO)(O)O)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCC(=O)C(C(CO)(O)O)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C22H46NO8P/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(25)21(22(26,27)19-24)31-32(28,29)30-18-17-23(2,3)4/h21,24,26-27H,5-19H2,1-4H3