2,6-ditert-butyl-4-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2,6-ditert-butyl-4-[[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]phenol Formula: C25H37N2O+ MolecularWeight: 381.57408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+]2CCCCC2C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+]2CCCC[C@H]2C3=CN=CC=C3

InChI

InChI=1S/C25H36N2O/c1-24(2,3)20-14-18(15-21(23(20)28)25(4,5)6)17-27-13-8-7-11-22(27)19-10-9-12-26-16-19/h9-10,12,14-16,22,28H,7-8,11,13,17H2,1-6H3/p+1/t22-/m0/s1