2,6-ditert-butyl-4-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]phenol CAS Name: 2,6-ditert-butyl-4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]phenol Formula: C28H42N2O+2 MolecularWeight: 422.64588

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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)CC=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C28H40N2O/c1-27(2,3)24-19-23(20-25(26(24)31)28(4,5)6)21-30-17-15-29(16-18-30)14-10-13-22-11-8-7-9-12-22/h7-13,19-20,31H,14-18,21H2,1-6H3/p+2/b13-10+