[2-methyl-3-(octadecanoylamino)-3-oxidanyl-hexan-2-yl]azanium nitrate

Systemtic Name: [2-methyl-3-(octadecanoylamino)-3-oxidanyl-hexan-2-yl]azanium nitrate Openeye Name: [2-hydroxy-1,1-dimethyl-2-(octadecanoylamino)pentyl]ammonium nitrate CAS Name: [3-hydroxy-2-methyl-3-(1-oxooctadecylamino)hexan-2-yl]ammonium nitrate IUPAC Name: [3-hydroxy-2-methyl-3-(octadecanoylamino)hexan-2-yl]azanium nitrate Traditional Name: (2-hydroxy-1,1-dimethyl-2-stearamido-pentyl)ammonium nitrate Formula: C25H53N3O5 MolecularWeight: 475.70542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CCC)(C(C)(C)[NH3+])O.[N+](=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CCC)(C(C)(C)[NH3+])O.[N+](=O)([O-])[O-]

InChI

InChI=1S/C25H52N2O2.NO3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(28)27-25(29,22-6-2)24(3,4)26;2-1(3)4/h29H,5-22,26H2,1-4H3,(H,27,28);/q;-1/p+1