1,1-dimethyl-4-(4-nitrophenyl)piperazin-1-ium; methyl sulfate

Systemtic Name: 1,1-dimethyl-4-(4-nitrophenyl)piperazin-1-ium; methyl sulfate Openeye Name: 1,1-dimethyl-4-(4-nitrophenyl)piperazin-1-ium; methyl sulfate CAS Name: 1,1-dimethyl-4-(4-nitrophenyl)piperazin-1-ium; methyl sulfate IUPAC Name: 1,1-dimethyl-4-(4-nitrophenyl)piperazin-1-ium; methyl sulfate Traditional Name: 1,1-dimethyl-4-(4-nitrophenyl)piperazin-1-ium; methyl sulfate Formula: C13H21N3O6S MolecularWeight: 347.38734

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])C.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])C.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H18N3O2.CH4O4S/c1-15(2)9-7-13(8-10-15)11-3-5-12(6-4-11)14(16)17;1-5-6(2,3)4/h3-6H,7-10H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1