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

Systemtic Name: 2,6-ditert-butyl-4-[[3-(3-oxidanylpropyl)pyridin-1-ium-1-yl]methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[[3-(3-hydroxypropyl)pyridin-1-ium-1-yl]methyl]phenol CAS Name: 2,6-ditert-butyl-4-[[3-(3-hydroxypropyl)-1-pyridin-1-iumyl]methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[[3-(3-hydroxypropyl)pyridin-1-ium-1-yl]methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[[3-(3-hydroxypropyl)pyridin-1-ium-1-yl]methyl]phenol Formula: C23H34NO2+ MolecularWeight: 356.52156

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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)CCCO

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[N+]2=CC=CC(=C2)CCCO

InChI

InChI=1S/C23H33NO2/c1-22(2,3)19-13-18(14-20(21(19)26)23(4,5)6)16-24-11-7-9-17(15-24)10-8-12-25/h7,9,11,13-15,25H,8,10,12,16H2,1-6H3/p+1