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

Systemtic Name: 1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzylsulfonyl-4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium CAS Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzylsulfonyl-4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium Formula: C20H24ClN2O4S+ MolecularWeight: 423.93356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C(=CC(=C2)Cl)COCO3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C(=CC(=C2)Cl)COCO3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H23ClN2O4S/c21-19-10-17(20-18(11-19)13-26-15-27-20)12-22-6-8-23(9-7-22)28(24,25)14-16-4-2-1-3-5-16/h1-5,10-11H,6-9,12-15H2/p+1