1-[5-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone

Systemtic Name: 1-[5-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[5-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[oxo-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[5-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[5-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone Formula: C17H18F3N4O2+ MolecularWeight: 367.34563

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H17F3N4O2/c1-11(25)12-8-14(21-9-12)16(26)24-6-4-23(5-7-24)15-3-2-13(10-22-15)17(18,19)20/h2-3,8-10,21H,4-7H2,1H3/p+1