2,6-ditert-butyl-4-[(E)-[4-(phenylmethyl)piperazin-4-ium-1-yl]iminomethyl]phenolate

Systemtic Name: 2,6-ditert-butyl-4-[(E)-[4-(phenylmethyl)piperazin-4-ium-1-yl]iminomethyl]phenolate Openeye Name: 4-[(E)-(4-benzylpiperazin-4-ium-1-yl)iminomethyl]-2,6-ditert-butyl-phenolate CAS Name: 2,6-ditert-butyl-4-[(E)-[4-(phenylmethyl)-1-piperazin-4-iumyl]iminomethyl]phenolate IUPAC Name: 4-[(E)-(4-benzylpiperazin-4-ium-1-yl)iminomethyl]-2,6-ditert-butylphenolate Traditional Name: 4-[(E)-(4-benzylpiperazin-4-ium-1-yl)iminomethyl]-2,6-ditert-butyl-phenolate Formula: C26H37N3O MolecularWeight: 407.59148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1[O-])C(C)(C)C)C=NN2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1[O-])C(C)(C)C)/C=N/N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C26H37N3O/c1-25(2,3)22-16-21(17-23(24(22)30)26(4,5)6)18-27-29-14-12-28(13-15-29)19-20-10-8-7-9-11-20/h7-11,16-18,30H,12-15,19H2,1-6H3/b27-18+