1-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-tosyl-piperazin-1-ium Formula: C20H24FN2O4S+ MolecularWeight: 407.478963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C4C(=CC(=C3)F)COCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C4C(=CC(=C3)F)COCO4

InChI

InChI=1S/C20H23FN2O4S/c1-15-2-4-19(5-3-15)28(24,25)23-8-6-22(7-9-23)12-16-10-18(21)11-17-13-26-14-27-20(16)17/h2-5,10-11H,6-9,12-14H2,1H3/p+1