3,5-ditert-butyl-1-(phenylmethyl)pyridin-1-ium-4-ol chloride

Systemtic Name: 3,5-ditert-butyl-1-(phenylmethyl)pyridin-1-ium-4-ol chloride Openeye Name: 1-benzyl-3,5-ditert-butyl-pyridin-1-ium-4-ol chloride CAS Name: 3,5-ditert-butyl-1-(phenylmethyl)-4-pyridin-1-iumol chloride IUPAC Name: 1-benzyl-3,5-ditert-butylpyridin-1-ium-4-ol chloride Traditional Name: 1-benzyl-3,5-ditert-butyl-pyridin-1-ium-4-ol chloride Formula: C20H28ClNO MolecularWeight: 333.89542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C[N+](=CC(=C1O)C(C)(C)C)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC(C)(C)C1=C[N+](=CC(=C1O)C(C)(C)C)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C20H27NO.ClH/c1-19(2,3)16-13-21(12-15-10-8-7-9-11-15)14-17(18(16)22)20(4,5)6;/h7-11,13-14H,12H2,1-6H3;1H