1-(2-chlorophenyl)sulfonyl-4-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(2-chlorophenyl)sulfonyl-4-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium Openeye Name: 1-(2-chlorophenyl)sulfonyl-4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium CAS Name: 1-(2-chlorophenyl)sulfonyl-4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium IUPAC Name: 1-(2-chlorophenyl)sulfonyl-4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium Traditional Name: 1-(2-chlorophenyl)sulfonyl-4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium Formula: C19H21ClFN2O4S+ MolecularWeight: 427.897443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C(=CC(=C2)F)COCO3)S(=O)(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C(=CC(=C2)F)COCO3)S(=O)(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C19H20ClFN2O4S/c20-17-3-1-2-4-18(17)28(24,25)23-7-5-22(6-8-23)11-14-9-16(21)10-15-12-26-13-27-19(14)15/h1-4,9-10H,5-8,11-13H2/p+1