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

Systemtic Name: 1-(3,4-dichlorophenyl)sulfonyl-4-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium Openeye Name: 1-(3,4-dichlorophenyl)sulfonyl-4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium CAS Name: 1-(3,4-dichlorophenyl)sulfonyl-4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium IUPAC Name: 1-(3,4-dichlorophenyl)sulfonyl-4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium Traditional Name: 1-(3,4-dichlorophenyl)sulfonyl-4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium Formula: C19H20Cl2FN2O4S+ MolecularWeight: 462.342503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19Cl2FN2O4S/c20-17-2-1-16(9-18(17)21)29(25,26)24-5-3-23(4-6-24)10-13-7-15(22)8-14-11-27-12-28-19(13)14/h1-2,7-9H,3-6,10-12H2/p+1