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

Systemtic Name: 6-fluoranyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-(phenylsulfonyl)quinoline Openeye Name: 3-(benzenesulfonyl)-4-(4-benzylpiperazin-4-ium-1-yl)-6-fluoro-quinoline CAS Name: 3-(benzenesulfonyl)-6-fluoro-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]quinoline IUPAC Name: 3-(benzenesulfonyl)-4-(4-benzylpiperazin-4-ium-1-yl)-6-fluoroquinoline Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-besyl-6-fluoro-quinoline Formula: C26H25FN3O2S+ MolecularWeight: 462.559003

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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=CC=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C26H24FN3O2S/c27-21-11-12-24-23(17-21)26(25(18-28-24)33(31,32)22-9-5-2-6-10-22)30-15-13-29(14-16-30)19-20-7-3-1-4-8-20/h1-12,17-18H,13-16,19H2/p+1