4-(1,4-diazepan-4-ium-1-yl)-6-fluoranyl-2-(trifluoromethyl)quinoline

Systemtic Name: 4-(1,4-diazepan-4-ium-1-yl)-6-fluoranyl-2-(trifluoromethyl)quinoline Openeye Name: 4-(1,4-diazepan-4-ium-1-yl)-6-fluoro-2-(trifluoromethyl)quinoline CAS Name: 4-(1,4-diazepan-4-ium-1-yl)-6-fluoro-2-(trifluoromethyl)quinoline IUPAC Name: 4-(1,4-diazepan-4-ium-1-yl)-6-fluoro-2-(trifluoromethyl)quinoline Traditional Name: 4-(1,4-diazepan-4-ium-1-yl)-6-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=C(C=C3)F)C(F)(F)F

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=CC(=NC3=C2C=C(C=C3)F)C(F)(F)F

InChI

InChI=1S/C15H15F4N3/c16-10-2-3-12-11(8-10)13(9-14(21-12)15(17,18)19)22-6-1-4-20-5-7-22/h2-3,8-9,20H,1,4-7H2/p+1