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

Systemtic Name: 1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-nosyl-piperazin-1-ium Formula: C19H21ClN3O6S+ MolecularWeight: 454.90454

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O6S/c20-16-9-14(19-15(10-16)12-28-13-29-19)11-21-5-7-22(8-6-21)30(26,27)18-3-1-17(2-4-18)23(24)25/h1-4,9-10H,5-8,11-13H2/p+1