3-[[5-(dimethylamino)-2-nitro-phenyl]amino]propyl-trimethyl-azanium; methyl sulfate

Systemtic Name: 3-[[5-(dimethylamino)-2-nitro-phenyl]amino]propyl-trimethyl-azanium; methyl sulfate Openeye Name: 3-[5-(dimethylamino)-2-nitro-anilino]propyl-trimethyl-ammonium; methyl sulfate CAS Name: 3-[5-(dimethylamino)-2-nitroanilino]propyl-trimethylammonium; methyl sulfate IUPAC Name: 3-[5-(dimethylamino)-2-nitroanilino]propyl-trimethylazanium; methyl sulfate Traditional Name: 3-[5-(dimethylamino)-2-nitro-anilino]propyl-trimethyl-ammonium; methyl sulfate Formula: C15H28N4O6S MolecularWeight: 392.47102

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=C(C=C1)[N+](=O)[O-])NCCC[N+](C)(C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CN(C)C1=CC(=C(C=C1)[N+](=O)[O-])NCCC[N+](C)(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C14H25N4O2.CH4O4S/c1-16(2)12-7-8-14(17(19)20)13(11-12)15-9-6-10-18(3,4)5;1-5-6(2,3)4/h7-8,11,15H,6,9-10H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1