2,6-ditert-butyl-4-[(R)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-pyridin-3-yl-methyl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[(R)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-pyridin-3-yl-methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[(R)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-(3-pyridyl)methyl]phenol CAS Name: 2,6-ditert-butyl-4-[(R)-[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]-(3-pyridinyl)methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[(R)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-pyridin-3-ylmethyl]phenol Traditional Name: 2,6-ditert-butyl-4-[(R)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-(3-pyridyl)methyl]phenol Formula: C26H41N3O2+2 MolecularWeight: 427.62264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)[C@H](C2=CN=CC=C2)[NH+]3CC[NH+](CC3)CCO

InChI

InChI=1S/C26H39N3O2/c1-25(2,3)21-16-20(17-22(24(21)31)26(4,5)6)23(19-8-7-9-27-18-19)29-12-10-28(11-13-29)14-15-30/h7-9,16-18,23,30-31H,10-15H2,1-6H3/p+2/t23-/m0/s1