[7-fluoranyl-2-(2-phenylsulfanylethoxy)quinolin-3-yl]methyl-[(1-methylpyrazol-4-yl)methyl]azanium

Systemtic Name: [7-fluoranyl-2-(2-phenylsulfanylethoxy)quinolin-3-yl]methyl-[(1-methylpyrazol-4-yl)methyl]azanium Openeye Name: [7-fluoro-2-(2-phenylsulfanylethoxy)-3-quinolyl]methyl-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: [7-fluoro-2-[2-(phenylthio)ethoxy]-3-quinolinyl]methyl-[(1-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [7-fluoro-2-(2-phenylsulfanylethoxy)quinolin-3-yl]methyl-[(1-methylpyrazol-4-yl)methyl]azanium Traditional Name: [7-fluoro-2-[2-(phenylthio)ethoxy]-3-quinolyl]methyl-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C23H24FN4OS+ MolecularWeight: 423.526263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH2+]CC2=C(N=C3C=C(C=CC3=C2)F)OCCSC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)C[NH2+]CC2=C(N=C3C=C(C=CC3=C2)F)OCCSC4=CC=CC=C4

InChI

InChI=1S/C23H23FN4OS/c1-28-16-17(14-26-28)13-25-15-19-11-18-7-8-20(24)12-22(18)27-23(19)29-9-10-30-21-5-3-2-4-6-21/h2-8,11-12,14,16,25H,9-10,13,15H2,1H3/p+1