8-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylquinoline

Systemtic Name: 8-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylquinoline Openeye Name: 8-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylquinoline CAS Name: 8-[[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]quinoline IUPAC Name: 8-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylquinoline Traditional Name: 8-[4-(3-fluorobenzyl)piperazin-4-ium-1-yl]sulfonylquinoline Formula: C20H21FN3O2S+ MolecularWeight: 386.463043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C20H20FN3O2S/c21-18-7-1-4-16(14-18)15-23-10-12-24(13-11-23)27(25,26)19-8-2-5-17-6-3-9-22-20(17)19/h1-9,14H,10-13,15H2/p+1