4,5-dimethyl-2-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4,5-dimethyl-2-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 4,5-dimethyl-2-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]methyl]phenol CAS Name: 4,5-dimethyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4,5-dimethyl-2-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 4,5-dimethyl-2-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]methyl]phenol Formula: C19H23F3N3O+ MolecularWeight: 366.40063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)O)C[NH+]2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1C)O)C[NH+]2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H22F3N3O/c1-13-9-15(17(26)10-14(13)2)12-24-5-7-25(8-6-24)18-4-3-16(11-23-18)19(20,21)22/h3-4,9-11,26H,5-8,12H2,1-2H3/p+1