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

Systemtic Name: [4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-(3-pyridyl)methanone CAS Name: [4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-(3-pyridinyl)methanone IUPAC Name: [4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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