1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenylsulfonyl)piperazin-1-ium

Systemtic Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium Traditional Name: 1-besyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium Formula: C19H22N3O6S+ MolecularWeight: 420.45948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O6S/c23-22(24)17-10-15(19-16(11-17)13-27-14-28-19)12-20-6-8-21(9-7-20)29(25,26)18-4-2-1-3-5-18/h1-5,10-11H,6-9,12-14H2/p+1