3-(3,4-dimethylphenyl)sulfonyl-6-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)quinoline

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonyl-6-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)quinoline Openeye Name: 3-(3,4-dimethylphenyl)sulfonyl-6-fluoro-4-(4-methylpiperazin-4-ium-1-yl)quinoline CAS Name: 3-(3,4-dimethylphenyl)sulfonyl-6-fluoro-4-(4-methyl-1-piperazin-4-iumyl)quinoline IUPAC Name: 3-(3,4-dimethylphenyl)sulfonyl-6-fluoro-4-(4-methylpiperazin-4-ium-1-yl)quinoline Traditional Name: 3-(3,4-dimethylphenyl)sulfonyl-6-fluoro-4-(4-methylpiperazin-4-ium-1-yl)quinoline Formula: C22H25FN3O2S+ MolecularWeight: 414.516203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=CN=C3C=CC(=CC3=C2N4CC[NH+](CC4)C)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=CN=C3C=CC(=CC3=C2N4CC[NH+](CC4)C)F)C

InChI

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