2,6-ditert-butyl-4-[[3-(hydroxymethyl)pyridin-1-ium-1-yl]methyl]phenol chloride

Systemtic Name: 2,6-ditert-butyl-4-[[3-(hydroxymethyl)pyridin-1-ium-1-yl]methyl]phenol chloride Openeye Name: 2,6-ditert-butyl-4-[[3-(hydroxymethyl)pyridin-1-ium-1-yl]methyl]phenol chloride CAS Name: 2,6-ditert-butyl-4-[[3-(hydroxymethyl)-1-pyridin-1-iumyl]methyl]phenol chloride IUPAC Name: 2,6-ditert-butyl-4-[[3-(hydroxymethyl)pyridin-1-ium-1-yl]methyl]phenol chloride Traditional Name: 2,6-ditert-butyl-4-[(3-methylolpyridin-1-ium-1-yl)methyl]phenol chloride Formula: C21H30ClNO2 MolecularWeight: 363.9214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[N+]2=CC=CC(=C2)CO.[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[N+]2=CC=CC(=C2)CO.[Cl-]

InChI

InChI=1S/C21H29NO2.ClH/c1-20(2,3)17-10-16(11-18(19(17)24)21(4,5)6)13-22-9-7-8-15(12-22)14-23;/h7-12,23H,13-14H2,1-6H3;1H