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

Systemtic Name: 2,6-ditert-butyl-4-[[3-(6-oxidanylhexyl)pyridin-1-ium-1-yl]methyl]phenol chloride Openeye Name: 2,6-ditert-butyl-4-[[3-(6-hydroxyhexyl)pyridin-1-ium-1-yl]methyl]phenol chloride CAS Name: 2,6-ditert-butyl-4-[[3-(6-hydroxyhexyl)-1-pyridin-1-iumyl]methyl]phenol chloride IUPAC Name: 2,6-ditert-butyl-4-[[3-(6-hydroxyhexyl)pyridin-1-ium-1-yl]methyl]phenol chloride Traditional Name: 2,6-ditert-butyl-4-[[3-(6-hydroxyhexyl)pyridin-1-ium-1-yl]methyl]phenol chloride Formula: C26H40ClNO2 MolecularWeight: 434.0543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39NO2.ClH/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;1H