1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(3-fluorophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(3-fluorophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(3-fluorophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(3-fluorophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(3-fluorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(3-fluorophenyl)sulfonyl-piperazin-1-ium Formula: C19H21BrFN2O4S+ MolecularWeight: 472.348443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2Br)OCCO3)S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2Br)OCCO3)S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C19H20BrFN2O4S/c20-17-12-19-18(26-8-9-27-19)10-14(17)13-22-4-6-23(7-5-22)28(24,25)16-3-1-2-15(21)11-16/h1-3,10-12H,4-9,13H2/p+1