1-[4-[4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(3,5-ditert-butyl-4-hydroxy-benzyl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C27H39N2O2+ MolecularWeight: 423.61076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O2/c1-19(30)21-8-10-22(11-9-21)29-14-12-28(13-15-29)18-20-16-23(26(2,3)4)25(31)24(17-20)27(5,6)7/h8-11,16-17,31H,12-15,18H2,1-7H3/p+1