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

Systemtic Name: dimethyl-[3-(octadecanoylamino)propyl]-(3-octadecanoyloxy-2-oxidanyl-propyl)azanium Openeye Name: (2-hydroxy-3-octadecanoyloxy-propyl)-dimethyl-[3-(octadecanoylamino)propyl]ammonium CAS Name: [2-hydroxy-3-(1-oxooctadecoxy)propyl]-dimethyl-[3-(1-oxooctadecylamino)propyl]ammonium IUPAC Name: (2-hydroxy-3-octadecanoyloxypropyl)-dimethyl-[3-(octadecanoylamino)propyl]azanium Traditional Name: (2-hydroxy-3-stearoyloxy-propyl)-dimethyl-(3-stearamidopropyl)ammonium Formula: C44H89N2O4+ MolecularWeight: 710.18846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(COC(=O)CCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(COC(=O)CCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C44H88N2O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-43(48)45-38-35-39-46(3,4)40-42(47)41-50-44(49)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h42,47H,5-41H2,1-4H3/p+1