4-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-3-(4-methylphenyl)sulfonyl-quinolin-1-ium

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-3-(4-methylphenyl)sulfonyl-quinolin-1-ium Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-6-fluoro-3-(4-methylphenyl)sulfonylquinolin-1-ium IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-3-(4-methylphenyl)sulfonylquinolin-1-ium Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-3-tosyl-quinolin-1-ium Formula: C22H26FN3O2S+2 MolecularWeight: 415.524143

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC=C(C=C4)C)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC=C(C=C4)C)F

InChI

InChI=1S/C22H24FN3O2S/c1-3-25-10-12-26(13-11-25)22-19-14-17(23)6-9-20(19)24-15-21(22)29(27,28)18-7-4-16(2)5-8-18/h4-9,14-15H,3,10-13H2,1-2H3/p+2