3-(4-chlorophenyl)sulfonyl-6-fluoranyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinoline

Systemtic Name: 3-(4-chlorophenyl)sulfonyl-6-fluoranyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinoline Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-(4-chlorophenyl)sulfonyl-6-fluoro-quinoline CAS Name: 3-(4-chlorophenyl)sulfonyl-6-fluoro-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]quinoline IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-(4-chlorophenyl)sulfonyl-6-fluoroquinoline Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-(4-chlorophenyl)sulfonyl-6-fluoro-quinoline Formula: C26H24ClFN3O2S+ MolecularWeight: 497.004063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C4C=C(C=CC4=NC=C3S(=O)(=O)C5=CC=C(C=C5)Cl)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C4C=C(C=CC4=NC=C3S(=O)(=O)C5=CC=C(C=C5)Cl)F

InChI

InChI=1S/C26H23ClFN3O2S/c27-20-6-9-22(10-7-20)34(32,33)25-17-29-24-11-8-21(28)16-23(24)26(25)31-14-12-30(13-15-31)18-19-4-2-1-3-5-19/h1-11,16-17H,12-15,18H2/p+1