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

Systemtic Name: quinoxalin-2-yl-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Openeye Name: quinoxalin-2-yl-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone CAS Name: 2-quinoxalinyl-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methanone IUPAC Name: quinoxalin-2-yl-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Traditional Name: quinoxalin-2-yl-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]methanone Formula: C19H17F3N5O+ MolecularWeight: 388.36639

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C19H16F3N5O/c20-19(21,22)13-5-6-17(24-11-13)26-7-9-27(10-8-26)18(28)16-12-23-14-3-1-2-4-15(14)25-16/h1-6,11-12H,7-10H2/p+1