dimethyl-[3-(octadecanoylamino)propyl]-(2-oxidanyl-3-phosphonooxy-propyl)azanium chloride

Systemtic Name: dimethyl-[3-(octadecanoylamino)propyl]-(2-oxidanyl-3-phosphonooxy-propyl)azanium chloride Openeye Name: (2-hydroxy-3-phosphonooxy-propyl)-dimethyl-[3-(octadecanoylamino)propyl]ammonium chloride CAS Name: (2-hydroxy-3-phosphonooxypropyl)-dimethyl-[3-(1-oxooctadecylamino)propyl]ammonium chloride IUPAC Name: (2-hydroxy-3-phosphonooxypropyl)-dimethyl-[3-(octadecanoylamino)propyl]azanium chloride Traditional Name: (2-hydroxy-3-phosphonooxy-propyl)-dimethyl-(3-stearamidopropyl)ammonium chloride Formula: C26H56ClN2O6P MolecularWeight: 559.159401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(COP(=O)(O)O)O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(COP(=O)(O)O)O.[Cl-]

InChI

InChI=1S/C26H55N2O6P.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-26(30)27-21-19-22-28(2,3)23-25(29)24-34-35(31,32)33;/h25,29H,4-24H2,1-3H3,(H2-,27,30,31,32,33);1H