1-hexadecyl-5-methyl-pyridin-1-ium-2,4-diol chloride

Systemtic Name: 1-hexadecyl-5-methyl-pyridin-1-ium-2,4-diol chloride Openeye Name: 1-hexadecyl-5-methyl-pyridin-1-ium-2,4-diol chloride CAS Name: 1-hexadecyl-5-methylpyridin-1-ium-2,4-diol chloride IUPAC Name: 1-hexadecyl-5-methylpyridin-1-ium-2,4-diol chloride Traditional Name: 1-cetyl-5-methyl-pyridin-1-ium-2,4-diol chloride Formula: C22H40ClNO2 MolecularWeight: 386.0115

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=C(C=C(C(=C1)C)O)O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=C(C=C(C(=C1)C)O)O.[Cl-]

InChI

InChI=1S/C22H39NO2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-19-20(2)21(24)18-22(23)25;/h18-19H,3-17H2,1-2H3,(H,24,25);1H