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

Systemtic Name: (3,5-dimethoxyphenyl)methyl-[[7-fluoranyl-2-oxidanylidene-1-(pyridin-3-ylmethyl)quinolin-3-yl]methyl]azanium Openeye Name: (3,5-dimethoxyphenyl)methyl-[[7-fluoro-2-oxo-1-(3-pyridylmethyl)-3-quinolyl]methyl]ammonium CAS Name: (3,5-dimethoxyphenyl)methyl-[[7-fluoro-2-oxo-1-(3-pyridinylmethyl)-3-quinolinyl]methyl]ammonium IUPAC Name: (3,5-dimethoxyphenyl)methyl-[[7-fluoro-2-oxo-1-(pyridin-3-ylmethyl)quinolin-3-yl]methyl]azanium Traditional Name: (3,5-dimethoxybenzyl)-[[7-fluoro-2-keto-1-(3-pyridylmethyl)-3-quinolyl]methyl]ammonium Formula: C25H25FN3O3+ MolecularWeight: 434.482703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C[NH2+]CC2=CC3=C(C=C(C=C3)F)N(C2=O)CC4=CN=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C[NH2+]CC2=CC3=C(C=C(C=C3)F)N(C2=O)CC4=CN=CC=C4)OC

InChI

InChI=1S/C25H24FN3O3/c1-31-22-8-18(9-23(12-22)32-2)14-28-15-20-10-19-5-6-21(26)11-24(19)29(25(20)30)16-17-4-3-7-27-13-17/h3-13,28H,14-16H2,1-2H3/p+1