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

Systemtic Name: 2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]phenol Openeye Name: 2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]phenol CAS Name: 2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]phenol IUPAC Name: 2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]phenol Traditional Name: 2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]phenol Formula: C16H17F3N3O+ MolecularWeight: 324.32089

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C3=CC=CC=C3O

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C3=CC=CC=C3O

InChI

InChI=1S/C16H16F3N3O/c17-16(18,19)12-5-6-15(20-11-12)22-9-7-21(8-10-22)13-3-1-2-4-14(13)23/h1-6,11,23H,7-10H2/p+1