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

Systemtic Name: [7-fluoranyl-2-oxidanylidene-1-(pyridin-4-ylmethyl)quinolin-3-yl]methyl-[2-(3-methoxyphenyl)ethyl]azanium Openeye Name: [7-fluoro-2-oxo-1-(4-pyridylmethyl)-3-quinolyl]methyl-[2-(3-methoxyphenyl)ethyl]ammonium CAS Name: [7-fluoro-2-oxo-1-(pyridin-4-ylmethyl)-3-quinolinyl]methyl-[2-(3-methoxyphenyl)ethyl]ammonium IUPAC Name: [7-fluoro-2-oxo-1-(pyridin-4-ylmethyl)quinolin-3-yl]methyl-[2-(3-methoxyphenyl)ethyl]azanium Traditional Name: [7-fluoro-2-keto-1-(4-pyridylmethyl)-3-quinolyl]methyl-[2-(3-methoxyphenyl)ethyl]ammonium Formula: C25H25FN3O2+ MolecularWeight: 418.483303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24FN3O2/c1-31-23-4-2-3-18(13-23)7-12-28-16-21-14-20-5-6-22(26)15-24(20)29(25(21)30)17-19-8-10-27-11-9-19/h2-6,8-11,13-15,28H,7,12,16-17H2,1H3/p+1