2,6-ditert-butyl-4-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol Openeye Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2,6-ditert-butyl-phenol CAS Name: 2,6-ditert-butyl-4-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]phenol IUPAC Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2,6-ditert-butylphenol Traditional Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2,6-ditert-butyl-phenol Formula: C26H40N2O+2 MolecularWeight: 396.6086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C26H38N2O/c1-25(2,3)22-16-21(17-23(24(22)29)26(4,5)6)19-28-14-12-27(13-15-28)18-20-10-8-7-9-11-20/h7-11,16-17,29H,12-15,18-19H2,1-6H3/p+2