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

Systemtic Name: 2,6-ditert-butyl-4-[[3-(6-oxidanylhexyl)pyridin-1-ium-1-yl]methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[[3-(6-hydroxyhexyl)pyridin-1-ium-1-yl]methyl]phenol CAS Name: 2,6-ditert-butyl-4-[[3-(6-hydroxyhexyl)-1-pyridin-1-iumyl]methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[[3-(6-hydroxyhexyl)pyridin-1-ium-1-yl]methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[[3-(6-hydroxyhexyl)pyridin-1-ium-1-yl]methyl]phenol Formula: C26H40NO2+ MolecularWeight: 398.6013

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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)CCCCCCO

Isomeric SMILES

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

InChI

InChI=1S/C26H39NO2/c1-25(2,3)22-16-21(17-23(24(22)29)26(4,5)6)19-27-14-11-13-20(18-27)12-9-7-8-10-15-28/h11,13-14,16-18,28H,7-10,12,15,19H2,1-6H3/p+1