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

Systemtic Name: dimethyl-octadecyl-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methyl]azanium chloride Openeye Name: (5-hydroxy-4-oxo-pyran-2-yl)methyl-dimethyl-octadecyl-ammonium chloride CAS Name: (5-hydroxy-4-oxo-2-pyranyl)methyl-dimethyl-octadecylammonium chloride IUPAC Name: (5-hydroxy-4-oxopyran-2-yl)methyl-dimethyl-octadecylazanium chloride Traditional Name: (5-hydroxy-4-keto-pyran-2-yl)methyl-dimethyl-stearyl-ammonium chloride Formula: C26H48ClNO3 MolecularWeight: 458.11722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H47NO3.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(2,3)22-24-21-25(28)26(29)23-30-24;/h21,23H,4-20,22H2,1-3H3;1H