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

Systemtic Name: 2,6-ditert-butyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 2,6-ditert-butyl-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C23H35N4O+ MolecularWeight: 383.5502

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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=NC=CC=N3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C23H34N4O/c1-22(2,3)18-14-17(15-19(20(18)28)23(4,5)6)16-26-10-12-27(13-11-26)21-24-8-7-9-25-21/h7-9,14-15,28H,10-13,16H2,1-6H3/p+1