dimethyl-[3-(octadecanoylamino)-2-oxidanyl-pentyl]azanium nitrate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CC)C(C[NH+](C)C)O.[N+](=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CC)C(C[NH+](C)C)O.[N+](=O)([O-])[O-]

InChI

InChI=1S/C25H52N2O2.NO3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(29)26-23(6-2)24(28)22-27(3)4;2-1(3)4/h23-24,28H,5-22H2,1-4H3,(H,26,29);/q;-1/p+1