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

Systemtic Name: 2,6-ditert-butyl-4-[(S)-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-pyridin-2-yl-methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[(S)-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-(2-pyridyl)methyl]phenol CAS Name: 2,6-ditert-butyl-4-[(S)-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-(2-pyridinyl)methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[(S)-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-pyridin-2-ylmethyl]phenol Traditional Name: 2,6-ditert-butyl-4-[(S)-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-(2-pyridyl)methyl]phenol Formula: C26H40N3O2+ MolecularWeight: 426.6147

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C2=CC=CC=N2)[NH+]3CCN(CC3)CCO

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)[C@@H](C2=CC=CC=N2)[NH+]3CCN(CC3)CCO

InChI

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