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

Systemtic Name: 2,6-ditert-butyl-4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 2,6-ditert-butyl-4-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]phenol Formula: C27H41N2O2+ MolecularWeight: 425.62664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C27H40N2O2/c1-8-31-24-12-10-9-11-23(24)29-15-13-28(14-16-29)19-20-17-21(26(2,3)4)25(30)22(18-20)27(5,6)7/h9-12,17-18,30H,8,13-16,19H2,1-7H3/p+1