methyl-[3-(octadecanoylamino)-2,3-bis(oxidanyl)propyl]-prop-2-enyl-propyl-azanium phosphate

Systemtic Name: methyl-[3-(octadecanoylamino)-2,3-bis(oxidanyl)propyl]-prop-2-enyl-propyl-azanium phosphate Openeye Name: allyl-[2,3-dihydroxy-3-(octadecanoylamino)propyl]-methyl-propyl-ammonium phosphate CAS Name: [2,3-dihydroxy-3-(1-oxooctadecylamino)propyl]-methyl-prop-2-enyl-propylammonium phosphate IUPAC Name: [2,3-dihydroxy-3-(octadecanoylamino)propyl]-methyl-prop-2-enyl-propylazanium phosphate Traditional Name: allyl-(2,3-dihydroxy-3-stearamido-propyl)-methyl-propyl-ammonium phosphate Formula: C28H57N2O7P-2 MolecularWeight: 564.735141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H56N2O3.H3O4P/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(32)29-28(33)26(31)25-30(4,23-6-2)24-7-3;1-5(2,3)4/h6,26,28,31,33H,2,5,7-25H2,1,3-4H3;(H3,1,2,3,4)/p-2