2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]phenol

Systemtic Name: 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]phenol Openeye Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]phenol CAS Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]phenol IUPAC Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]phenol Traditional Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]phenol Formula: C16H16ClF3N3O+ MolecularWeight: 358.76595

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2O)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2O)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

InChI

InChI=1S/C16H15ClF3N3O/c17-12-9-11(16(18,19)20)10-21-15(12)23-7-5-22(6-8-23)13-3-1-2-4-14(13)24/h1-4,9-10,24H,5-8H2/p+1