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

Systemtic Name: 3-bromanyl-1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propan-1-one Openeye Name: 3-bromo-1-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propan-1-one CAS Name: 3-bromo-1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-bromo-1-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propan-1-one Traditional Name: 3-bromo-1-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]propan-1-one Formula: C13H15BrClF3N3O+ MolecularWeight: 401.62991

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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)CCBr

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C(=O)CCBr

InChI

InChI=1S/C13H14BrClF3N3O/c14-2-1-11(22)20-3-5-21(6-4-20)12-10(15)7-9(8-19-12)13(16,17)18/h7-8H,1-6H2/p+1