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

Systemtic Name: 2,6-ditert-butyl-4-[[3-(1-hydroxyethyl)pyridin-1-ium-1-yl]methyl]phenol chloride Openeye Name: 2,6-ditert-butyl-4-[[3-(1-hydroxyethyl)pyridin-1-ium-1-yl]methyl]phenol chloride CAS Name: 2,6-ditert-butyl-4-[[3-(1-hydroxyethyl)-1-pyridin-1-iumyl]methyl]phenol chloride IUPAC Name: 2,6-ditert-butyl-4-[[3-(1-hydroxyethyl)pyridin-1-ium-1-yl]methyl]phenol chloride Traditional Name: 2,6-ditert-butyl-4-[[3-(1-hydroxyethyl)pyridin-1-ium-1-yl]methyl]phenol chloride Formula: C22H32ClNO2 MolecularWeight: 377.94798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C[N+](=CC=C1)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)O.[Cl-]

Isomeric SMILES

CC(C1=C[N+](=CC=C1)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)O.[Cl-]

InChI

InChI=1S/C22H31NO2.ClH/c1-15(24)17-9-8-10-23(14-17)13-16-11-18(21(2,3)4)20(25)19(12-16)22(5,6)7;/h8-12,14-15,24H,13H2,1-7H3;1H