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

Systemtic Name: 2,6-ditert-butyl-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 2,6-ditert-butyl-4-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C25H36N3O3+ MolecularWeight: 426.57164

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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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H35N3O3/c1-24(2,3)21-15-18(16-22(23(21)29)25(4,5)6)17-26-11-13-27(14-12-26)19-7-9-20(10-8-19)28(30)31/h7-10,15-16,29H,11-14,17H2,1-6H3/p+1