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

Systemtic Name: 1-methylsulfonyl-4-(4-nitrophenyl)piperazin-4-ium chloride Openeye Name: 1-methylsulfonyl-4-(4-nitrophenyl)piperazin-4-ium chloride CAS Name: 1-methylsulfonyl-4-(4-nitrophenyl)piperazin-4-ium chloride IUPAC Name: 1-methylsulfonyl-4-(4-nitrophenyl)piperazin-4-ium chloride Traditional Name: 1-mesyl-4-(4-nitrophenyl)piperazin-4-ium chloride Formula: C11H16ClN3O4S MolecularWeight: 321.78044

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)C2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)C2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C11H15N3O4S.ClH/c1-19(17,18)13-8-6-12(7-9-13)10-2-4-11(5-3-10)14(15)16;/h2-5H,6-9H2,1H3;1H