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

Systemtic Name: 2,6-ditert-butyl-4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 2,6-ditert-butyl-4-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C27H41N2O+ MolecularWeight: 409.62724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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