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

Systemtic Name: 1-(4-nitrophenyl)-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-(4-nitrophenyl)piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-(4-nitrophenyl)piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-(4-nitrophenyl)piperazin-4-ium Traditional Name: 1-besyl-4-(4-nitrophenyl)piperazin-4-ium Formula: C16H18N3O4S+ MolecularWeight: 348.39682

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4S/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/p+1