methyl-(4-nitrophenyl)azanium; 2-[methyl-(4-nitrophenyl)sulfamoyl]ethyl sulfate

Systemtic Name: methyl-(4-nitrophenyl)azanium; 2-[methyl-(4-nitrophenyl)sulfamoyl]ethyl sulfate Openeye Name: methyl-(4-nitrophenyl)ammonium; 2-[methyl-(4-nitrophenyl)sulfamoyl]ethyl sulfate CAS Name: methyl-(4-nitrophenyl)ammonium; 2-[methyl-(4-nitrophenyl)sulfamoyl]ethyl sulfate IUPAC Name: methyl-(4-nitrophenyl)azanium; 2-[methyl-(4-nitrophenyl)sulfamoyl]ethyl sulfate Traditional Name: methyl-(4-nitrophenyl)ammonium; 2-[methyl-(4-nitrophenyl)sulfamoyl]ethyl sulfate Formula: C16H20N4O10S2 MolecularWeight: 492.4808

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1=CC=C(C=C1)[N+](=O)[O-].CN(C1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-]

Isomeric SMILES

C[NH2+]C1=CC=C(C=C1)[N+](=O)[O-].CN(C1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-]

InChI

InChI=1S/C9H12N2O8S2.C7H8N2O2/c1-10(8-2-4-9(5-3-8)11(12)13)20(14,15)7-6-19-21(16,17)18;1-8-6-2-4-7(5-3-6)9(10)11/h2-5H,6-7H2,1H3,(H,16,17,18);2-5,8H,1H3