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

Systemtic Name: 2,4-ditert-butyl-6-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 2-[(4-benzylpiperazin-4-ium-1-yl)methyl]-4,6-ditert-butyl-phenol CAS Name: 2,4-ditert-butyl-6-[[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 2-[(4-benzylpiperazin-4-ium-1-yl)methyl]-4,6-ditert-butylphenol Traditional Name: 2-[(4-benzylpiperazin-4-ium-1-yl)methyl]-4,6-ditert-butyl-phenol Formula: C26H39N2O+ MolecularWeight: 395.60066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CN2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CN2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C26H38N2O/c1-25(2,3)22-16-21(24(29)23(17-22)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+1