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

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-quinoline Openeye Name: 3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-quinoline CAS Name: 3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethyl-1-piperazin-4-iumyl)-6-fluoroquinoline IUPAC Name: 3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-4-ium-1-yl)-6-fluoroquinoline Traditional Name: 3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-quinoline Formula: C23H27FN3O2S+ MolecularWeight: 428.542783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26FN3O2S/c1-4-26-9-11-27(12-10-26)23-20-14-18(24)6-8-21(20)25-15-22(23)30(28,29)19-7-5-16(2)17(3)13-19/h5-8,13-15H,4,9-12H2,1-3H3/p+1