N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-fluoranyl-N-methyl-benzenesulfonamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-fluoranyl-N-methyl-benzenesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-4-fluoro-N-methyl-benzenesulfonamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide Traditional Name: 4-fluoro-N-[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]-N-methyl-benzenesulfonamide Formula: C21H25FN3O5S+ MolecularWeight: 450.503703

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CN(CC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H24FN3O5S/c1-23(31(27,28)18-5-3-17(22)4-6-18)14-21(26)25-10-8-24(9-11-25)13-16-2-7-19-20(12-16)30-15-29-19/h2-7,12H,8-11,13-15H2,1H3/p+1