1-(4-methoxyphenyl)sulfonyl-4-(4-nitrophenyl)piperazin-4-ium chloride

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-4-(4-nitrophenyl)piperazin-4-ium chloride Openeye Name: 1-(4-methoxyphenyl)sulfonyl-4-(4-nitrophenyl)piperazin-4-ium chloride CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-(4-nitrophenyl)piperazin-4-ium chloride IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-(4-nitrophenyl)piperazin-4-ium chloride Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-(4-nitrophenyl)piperazin-4-ium chloride Formula: C17H20ClN3O5S MolecularWeight: 413.8758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3=CC=C(C=C3)[N+](=O)[O-].[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3=CC=C(C=C3)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C17H19N3O5S.ClH/c1-25-16-6-8-17(9-7-16)26(23,24)19-12-10-18(11-13-19)14-2-4-15(5-3-14)20(21)22;/h2-9H,10-13H2,1H3;1H