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

Systemtic Name: pyridin-3-yl-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Openeye Name: 3-pyridyl-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone CAS Name: 3-pyridinyl-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methanone IUPAC Name: pyridin-3-yl-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Traditional Name: 3-pyridyl-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]methanone Formula: C16H16F3N4O+ MolecularWeight: 337.31965

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15F3N4O/c17-16(18,19)13-3-4-14(21-11-13)22-6-8-23(9-7-22)15(24)12-2-1-5-20-10-12/h1-5,10-11H,6-9H2/p+1