1-(4-nitrophenyl)-4-(phenylsulfonyl)piperazin-1-ium chloride

Systemtic Name: 1-(4-nitrophenyl)-4-(phenylsulfonyl)piperazin-1-ium chloride Openeye Name: 1-(benzenesulfonyl)-4-(4-nitrophenyl)piperazin-4-ium chloride CAS Name: 1-(benzenesulfonyl)-4-(4-nitrophenyl)piperazin-4-ium chloride IUPAC Name: 1-(benzenesulfonyl)-4-(4-nitrophenyl)piperazin-4-ium chloride Traditional Name: 1-besyl-4-(4-nitrophenyl)piperazin-4-ium chloride Formula: C16H18ClN3O4S MolecularWeight: 383.84982

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C16H17N3O4S.ClH/c20-19(21)15-8-6-14(7-9-15)17-10-12-18(13-11-17)24(22,23)16-4-2-1-3-5-16;/h1-9H,10-13H2;1H