[3-methyl-4-(octadecanoylamino)-2-oxidanyl-hexan-2-yl]azanium chloride

Systemtic Name: [3-methyl-4-(octadecanoylamino)-2-oxidanyl-hexan-2-yl]azanium chloride Openeye Name: [1-hydroxy-1,2-dimethyl-3-(octadecanoylamino)pentyl]ammonium chloride CAS Name: [2-hydroxy-3-methyl-4-(1-oxooctadecylamino)hexan-2-yl]ammonium chloride IUPAC Name: [2-hydroxy-3-methyl-4-(octadecanoylamino)hexan-2-yl]azanium chloride Traditional Name: (1-hydroxy-1,2-dimethyl-3-stearamido-pentyl)ammonium chloride Formula: C25H53ClN2O2 MolecularWeight: 449.15352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CC)C(C)C(C)([NH3+])O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CC)C(C)C(C)([NH3+])O.[Cl-]

InChI

InChI=1S/C25H52N2O2.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(28)27-23(6-2)22(3)25(4,26)29;/h22-23,29H,5-21,26H2,1-4H3,(H,27,28);1H