[7-fluoranyl-2-(2-phenylsulfanylethoxy)quinolin-3-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: [7-fluoranyl-2-(2-phenylsulfanylethoxy)quinolin-3-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [7-fluoro-2-(2-phenylsulfanylethoxy)-3-quinolyl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [7-fluoro-2-[2-(phenylthio)ethoxy]-3-quinolinyl]methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [7-fluoro-2-(2-phenylsulfanylethoxy)quinolin-3-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [7-fluoro-2-[2-(phenylthio)ethoxy]-3-quinolyl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C25H32FN3O2S+2 MolecularWeight: 457.603883

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC[NH2+]CC2=C(N=C3C=C(C=CC3=C2)F)OCCSC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCC[NH2+]CC2=C(N=C3C=C(C=CC3=C2)F)OCCSC4=CC=CC=C4

InChI

InChI=1S/C25H30FN3O2S/c26-22-8-7-20-17-21(19-27-9-4-10-29-11-13-30-14-12-29)25(28-24(20)18-22)31-15-16-32-23-5-2-1-3-6-23/h1-3,5-8,17-18,27H,4,9-16,19H2/p+2