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

Systemtic Name: 4-(1,4-diazepan-4-ium-1-yl)-2-(trifluoromethyl)quinoline Openeye Name: 4-(1,4-diazepan-4-ium-1-yl)-2-(trifluoromethyl)quinoline CAS Name: 4-(1,4-diazepan-4-ium-1-yl)-2-(trifluoromethyl)quinoline IUPAC Name: 4-(1,4-diazepan-4-ium-1-yl)-2-(trifluoromethyl)quinoline Traditional Name: 4-(1,4-diazepan-4-ium-1-yl)-2-(trifluoromethyl)quinoline Formula: C15H17F3N3+ MolecularWeight: 296.31079

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=CC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=CC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C15H16F3N3/c16-15(17,18)14-10-13(21-8-3-6-19-7-9-21)11-4-1-2-5-12(11)20-14/h1-2,4-5,10,19H,3,6-9H2/p+1