2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-hexyl-ethanamide

Systemtic Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-hexyl-ethanamide Openeye Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-hexyl-acetamide CAS Name: 2-[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-hexylacetamide IUPAC Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-hexylacetamide Traditional Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-hexyl-acetamide Formula: C18H29FN3O3S+ MolecularWeight: 386.504563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2F

Isomeric SMILES

CCCCCCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2F

InChI

InChI=1S/C18H28FN3O3S/c1-2-3-4-7-10-20-18(23)15-21-11-13-22(14-12-21)26(24,25)17-9-6-5-8-16(17)19/h5-6,8-9H,2-4,7,10-15H2,1H3,(H,20,23)/p+1