8-fluoranyl-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline

Systemtic Name: 8-fluoranyl-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline Openeye Name: 8-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline CAS Name: 8-fluoro-4-(1-piperazin-4-iumyl)-2-(trifluoromethyl)quinoline IUPAC Name: 8-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline Traditional Name: 8-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline Formula: C14H14F4N3+ MolecularWeight: 300.274673

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC(=NC3=C2C=CC=C3F)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC(=NC3=C2C=CC=C3F)C(F)(F)F

InChI

InChI=1S/C14H13F4N3/c15-10-3-1-2-9-11(21-6-4-19-5-7-21)8-12(14(16,17)18)20-13(9)10/h1-3,8,19H,4-7H2/p+1