3-(4-chlorophenyl)sulfonyl-6-fluoranyl-4-[4-(4-fluorophenyl)piperazin-1-yl]quinolin-1-ium

Systemtic Name: 3-(4-chlorophenyl)sulfonyl-6-fluoranyl-4-[4-(4-fluorophenyl)piperazin-1-yl]quinolin-1-ium Openeye Name: 3-(4-chlorophenyl)sulfonyl-6-fluoro-4-[4-(4-fluorophenyl)piperazin-1-yl]quinolin-1-ium CAS Name: 3-(4-chlorophenyl)sulfonyl-6-fluoro-4-[4-(4-fluorophenyl)-1-piperazinyl]quinolin-1-ium IUPAC Name: 3-(4-chlorophenyl)sulfonyl-6-fluoro-4-[4-(4-fluorophenyl)piperazin-1-yl]quinolin-1-ium Traditional Name: 3-(4-chlorophenyl)sulfonyl-6-fluoro-4-[4-(4-fluorophenyl)piperazino]quinolin-1-ium Formula: C25H21ClF2N3O2S+ MolecularWeight: 500.967946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C3=C4C=C(C=CC4=[NH+]C=C3S(=O)(=O)C5=CC=C(C=C5)Cl)F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C3=C4C=C(C=CC4=[NH+]C=C3S(=O)(=O)C5=CC=C(C=C5)Cl)F

InChI

InChI=1S/C25H20ClF2N3O2S/c26-17-1-8-21(9-2-17)34(32,33)24-16-29-23-10-5-19(28)15-22(23)25(24)31-13-11-30(12-14-31)20-6-3-18(27)4-7-20/h1-10,15-16H,11-14H2/p+1