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

Systemtic Name: 2,6-ditert-butyl-4-[(4-dimethylaminophenyl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[(4-dimethylaminophenyl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]phenol CAS Name: 2,6-ditert-butyl-4-[(4-dimethylaminophenyl)-(4-methyl-1-piperazine-1,4-diiumyl)methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[(4-dimethylaminophenyl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[(4-dimethylaminophenyl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]phenol Formula: C28H45N3O+2 MolecularWeight: 439.6764

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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)C

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)C

InChI

InChI=1S/C28H43N3O/c1-27(2,3)23-18-21(19-24(26(23)32)28(4,5)6)25(31-16-14-30(9)15-17-31)20-10-12-22(13-11-20)29(7)8/h10-13,18-19,25,32H,14-17H2,1-9H3/p+2