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

Systemtic Name: 1-(4-bromophenyl)sulfonyl-4-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium Openeye Name: 1-(4-bromophenyl)sulfonyl-4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium CAS Name: 1-(4-bromophenyl)sulfonyl-4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium IUPAC Name: 1-(4-bromophenyl)sulfonyl-4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium Traditional Name: 1-brosyl-4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium Formula: C19H21BrClN2O4S+ MolecularWeight: 488.80304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrClN2O4S/c20-16-1-3-18(4-2-16)28(24,25)23-7-5-22(6-8-23)11-14-9-17(21)10-15-12-26-13-27-19(14)15/h1-4,9-10H,5-8,11-13H2/p+1