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

Systemtic Name: 2,6-ditert-butyl-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 2,6-ditert-butyl-4-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C26H39N2O2+ MolecularWeight: 411.60006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C26H38N2O2/c1-25(2,3)20-16-19(17-21(24(20)29)26(4,5)6)18-27-12-14-28(15-13-27)22-10-8-9-11-23(22)30-7/h8-11,16-17,29H,12-15,18H2,1-7H3/p+1