dimethyl-[1-(octadecanoylamino)-2-oxidanyl-ethyl]-propyl-azanium nitrate

Systemtic Name: dimethyl-[1-(octadecanoylamino)-2-oxidanyl-ethyl]-propyl-azanium nitrate Openeye Name: [2-hydroxy-1-(octadecanoylamino)ethyl]-dimethyl-propyl-ammonium nitrate CAS Name: [2-hydroxy-1-(1-oxooctadecylamino)ethyl]-dimethyl-propylammonium nitrate IUPAC Name: [2-hydroxy-1-(octadecanoylamino)ethyl]-dimethyl-propylazanium nitrate Traditional Name: (2-hydroxy-1-stearamido-ethyl)-dimethyl-propyl-ammonium nitrate Formula: C25H53N3O5 MolecularWeight: 475.70542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H52N2O2.NO3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(29)26-24(23-28)27(3,4)22-6-2;2-1(3)4/h24,28H,5-23H2,1-4H3;/q;-1/p+1