2,6-ditert-butyl-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 2,6-ditert-butyl-4-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C26H39N2O+ MolecularWeight: 395.60066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C26H38N2O/c1-19-10-8-9-11-23(19)28-14-12-27(13-15-28)18-20-16-21(25(2,3)4)24(29)22(17-20)26(5,6)7/h8-11,16-17,29H,12-15,18H2,1-7H3/p+1