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

Systemtic Name: 2,6-ditert-butyl-4-[(4-dimethylaminophenyl)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[(4-dimethylaminophenyl)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]phenol CAS Name: 2,6-ditert-butyl-4-[(4-dimethylaminophenyl)-[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[(4-dimethylaminophenyl)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[(4-dimethylaminophenyl)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]phenol Formula: C29H47N3O2+2 MolecularWeight: 469.70238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C2=CC=C(C=C2)N(C)C)[NH+]3CC[NH+](CC3)CCO

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C2=CC=C(C=C2)N(C)C)[NH+]3CC[NH+](CC3)CCO

InChI

InChI=1S/C29H45N3O2/c1-28(2,3)24-19-22(20-25(27(24)34)29(4,5)6)26(21-9-11-23(12-10-21)30(7)8)32-15-13-31(14-16-32)17-18-33/h9-12,19-20,26,33-34H,13-18H2,1-8H3/p+2