dimethyl-[2-(octadecanoylamino)pentan-2-yl]-oxidanyl-azanium nitrate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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