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

Systemtic Name: dimethyl-[1-(octadecanoylamino)ethyl]-oxidanyl-azanium phosphate Openeye Name: hydroxy-dimethyl-[1-(octadecanoylamino)ethyl]ammonium phosphate CAS Name: hydroxy-dimethyl-[1-(1-oxooctadecylamino)ethyl]ammonium phosphate IUPAC Name: hydroxy-dimethyl-[1-(octadecanoylamino)ethyl]azanium phosphate Traditional Name: hydroxy-dimethyl-(1-stearamidoethyl)ammonium phosphate Formula: C66H141N6O10P MolecularWeight: 1209.833701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C22H46N2O2.H3O4P/c3*1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(25)23-21(2)24(3,4)26;1-5(2,3)4/h3*21,26H,5-20H2,1-4H3;(H3,1,2,3,4)