2,4-ditert-butyl-6-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2,4-ditert-butyl-6-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2,4-ditert-butyl-6-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 2,4-ditert-butyl-6-[[4-(2,5-dimethylphenyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2,4-ditert-butyl-6-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2,4-ditert-butyl-6-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C27H41N2O+ MolecularWeight: 409.62724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)O

InChI

InChI=1S/C27H40N2O/c1-19-9-10-20(2)24(15-19)29-13-11-28(12-14-29)18-21-16-22(26(3,4)5)17-23(25(21)30)27(6,7)8/h9-10,15-17,30H,11-14,18H2,1-8H3/p+1