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

Systemtic Name: 4-(1,4-diazepan-4-ium-1-yl)-8-fluoranyl-2-(trifluoromethyl)quinoline Openeye Name: 4-(1,4-diazepan-4-ium-1-yl)-8-fluoro-2-(trifluoromethyl)quinoline CAS Name: 4-(1,4-diazepan-4-ium-1-yl)-8-fluoro-2-(trifluoromethyl)quinoline IUPAC Name: 4-(1,4-diazepan-4-ium-1-yl)-8-fluoro-2-(trifluoromethyl)quinoline Traditional Name: 4-(1,4-diazepan-4-ium-1-yl)-8-fluoro-2-(trifluoromethyl)quinoline Formula: C15H16F4N3+ MolecularWeight: 314.301253

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=CC(=NC3=C2C=CC=C3F)C(F)(F)F

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=CC(=NC3=C2C=CC=C3F)C(F)(F)F

InChI

InChI=1S/C15H15F4N3/c16-11-4-1-3-10-12(22-7-2-5-20-6-8-22)9-13(15(17,18)19)21-14(10)11/h1,3-4,9,20H,2,5-8H2/p+1