1,3-benzodioxol-5-ylmethyl-[[7-fluoranyl-2-oxidanylidene-1-(pyridin-3-ylmethyl)quinolin-3-yl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[7-fluoranyl-2-oxidanylidene-1-(pyridin-3-ylmethyl)quinolin-3-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[7-fluoro-2-oxo-1-(3-pyridylmethyl)-3-quinolyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[7-fluoro-2-oxo-1-(3-pyridinylmethyl)-3-quinolinyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[7-fluoro-2-oxo-1-(pyridin-3-ylmethyl)quinolin-3-yl]methyl]azanium Traditional Name: [7-fluoro-2-keto-1-(3-pyridylmethyl)-3-quinolyl]methyl-piperonyl-ammonium Formula: C24H21FN3O3+ MolecularWeight: 418.440243

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=CC4=C(C=C(C=C4)F)N(C3=O)CC5=CN=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=CC4=C(C=C(C=C4)F)N(C3=O)CC5=CN=CC=C5

InChI

InChI=1S/C24H20FN3O3/c25-20-5-4-18-9-19(13-27-11-16-3-6-22-23(8-16)31-15-30-22)24(29)28(21(18)10-20)14-17-2-1-7-26-12-17/h1-10,12,27H,11,13-15H2/p+1