dimethyl-[1-(octadecanoylamino)-2-oxidanyl-ethyl]-propyl-azanium phosphate

Systemtic Name: dimethyl-[1-(octadecanoylamino)-2-oxidanyl-ethyl]-propyl-azanium phosphate Openeye Name: [2-hydroxy-1-(octadecanoylamino)ethyl]-dimethyl-propyl-ammonium phosphate CAS Name: [2-hydroxy-1-(1-oxooctadecylamino)ethyl]-dimethyl-propylammonium phosphate IUPAC Name: [2-hydroxy-1-(octadecanoylamino)ethyl]-dimethyl-propylazanium phosphate Traditional Name: (2-hydroxy-1-stearamido-ethyl)-dimethyl-propyl-ammonium phosphate Formula: C75H159N6O10P MolecularWeight: 1336.072921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CO)[N+](C)(C)CCC.CCCCCCCCCCCCCCCCCC(=O)NC(CO)[N+](C)(C)CCC.CCCCCCCCCCCCCCCCCC(=O)NC(CO)[N+](C)(C)CCC.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CO)[N+](C)(C)CCC.CCCCCCCCCCCCCCCCCC(=O)NC(CO)[N+](C)(C)CCC.CCCCCCCCCCCCCCCCCC(=O)NC(CO)[N+](C)(C)CCC.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/3C25H52N2O2.H3O4P/c3*1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(29)26-24(23-28)27(3,4)22-6-2;1-5(2,3)4/h3*24,28H,5-23H2,1-4H3;(H3,1,2,3,4)