(2,3-dimethoxyphenyl)methyl-[[7-fluoranyl-2-oxidanylidene-1-(pyridin-4-ylmethyl)quinolin-3-yl]methyl]azanium

Systemtic Name: (2,3-dimethoxyphenyl)methyl-[[7-fluoranyl-2-oxidanylidene-1-(pyridin-4-ylmethyl)quinolin-3-yl]methyl]azanium Openeye Name: (2,3-dimethoxyphenyl)methyl-[[7-fluoro-2-oxo-1-(4-pyridylmethyl)-3-quinolyl]methyl]ammonium CAS Name: (2,3-dimethoxyphenyl)methyl-[[7-fluoro-2-oxo-1-(pyridin-4-ylmethyl)-3-quinolinyl]methyl]ammonium IUPAC Name: (2,3-dimethoxyphenyl)methyl-[[7-fluoro-2-oxo-1-(pyridin-4-ylmethyl)quinolin-3-yl]methyl]azanium Traditional Name: [7-fluoro-2-keto-1-(4-pyridylmethyl)-3-quinolyl]methyl-o-veratryl-ammonium Formula: C25H25FN3O3+ MolecularWeight: 434.482703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH2+]CC2=CC3=C(C=C(C=C3)F)N(C2=O)CC4=CC=NC=C4

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH2+]CC2=CC3=C(C=C(C=C3)F)N(C2=O)CC4=CC=NC=C4

InChI

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