3,5-dimethyl-4-(1-octylpyridin-1-ium-4-yl)phenol iodide

Systemtic Name: 3,5-dimethyl-4-(1-octylpyridin-1-ium-4-yl)phenol iodide Openeye Name: 3,5-dimethyl-4-(1-octylpyridin-1-ium-4-yl)phenol iodide CAS Name: 3,5-dimethyl-4-(1-octyl-4-pyridin-1-iumyl)phenol iodide IUPAC Name: 3,5-dimethyl-4-(1-octylpyridin-1-ium-4-yl)phenol iodide Traditional Name: 3,5-dimethyl-4-(1-octylpyridin-1-ium-4-yl)phenol iodide Formula: C21H30INO MolecularWeight: 439.37347

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=CC=C(C=C1)C2=C(C=C(C=C2C)O)C.[I-]

Isomeric SMILES

CCCCCCCC[N+]1=CC=C(C=C1)C2=C(C=C(C=C2C)O)C.[I-]

InChI

InChI=1S/C21H29NO.HI/c1-4-5-6-7-8-9-12-22-13-10-19(11-14-22)21-17(2)15-20(23)16-18(21)3;/h10-11,13-16H,4-9,12H2,1-3H3;1H