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

Systemtic Name: [4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-pyridin-2-yl-methanone Openeye Name: [4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-(2-pyridyl)methanone CAS Name: [4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-(2-pyridinyl)methanone IUPAC Name: [4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone Traditional Name: [4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]-(2-pyridyl)methanone Formula: C16H15ClF3N4O+ MolecularWeight: 371.76471

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C(=O)C3=CC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C(=O)C3=CC=CC=N3

InChI

InChI=1S/C16H14ClF3N4O/c17-12-9-11(16(18,19)20)10-22-14(12)23-5-7-24(8-6-23)15(25)13-3-1-2-4-21-13/h1-4,9-10H,5-8H2/p+1