dimethyl-(3-octadecoxy-2-oxidanyl-propyl)-octadecyl-azanium

Systemtic Name: dimethyl-(3-octadecoxy-2-oxidanyl-propyl)-octadecyl-azanium Openeye Name: (2-hydroxy-3-octadecoxy-propyl)-dimethyl-octadecyl-ammonium CAS Name: (2-hydroxy-3-octadecoxypropyl)-dimethyl-octadecylammonium IUPAC Name: (2-hydroxy-3-octadecoxypropyl)-dimethyl-octadecylazanium Traditional Name: (2-hydroxy-3-stearyloxy-propyl)-dimethyl-stearyl-ammonium Formula: C41H86NO2+ MolecularWeight: 625.12704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(COCCCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(COCCCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C41H86NO2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(3,4)39-41(43)40-44-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h41,43H,5-40H2,1-4H3/q+1