dimethyl-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methyl]-tetradecyl-azanium chloride

Systemtic Name: dimethyl-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methyl]-tetradecyl-azanium chloride Openeye Name: (5-hydroxy-4-oxo-pyran-2-yl)methyl-dimethyl-tetradecyl-ammonium chloride CAS Name: (5-hydroxy-4-oxo-2-pyranyl)methyl-dimethyl-tetradecylammonium chloride IUPAC Name: (5-hydroxy-4-oxopyran-2-yl)methyl-dimethyl-tetradecylazanium chloride Traditional Name: (5-hydroxy-4-keto-pyran-2-yl)methyl-dimethyl-myristyl-ammonium chloride Formula: C22H40ClNO3 MolecularWeight: 402.0109

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[N+](C)(C)CC1=CC(=O)C(=CO1)O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCC[N+](C)(C)CC1=CC(=O)C(=CO1)O.[Cl-]

InChI

InChI=1S/C22H39NO3.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23(2,3)18-20-17-21(24)22(25)19-26-20;/h17,19H,4-16,18H2,1-3H3;1H