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

Systemtic Name: 2,6-ditert-butyl-4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 2,6-ditert-butyl-4-[[4-(2-chlorophenyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C25H36ClN2O+ MolecularWeight: 416.01914

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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=C3Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+]2CCN(CC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C25H35ClN2O/c1-24(2,3)19-15-18(16-20(23(19)29)25(4,5)6)17-27-11-13-28(14-12-27)22-10-8-7-9-21(22)26/h7-10,15-16,29H,11-14,17H2,1-6H3/p+1