2-[[4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]-ethyl-amino]ethyl-trimethyl-azanium; methyl sulfate

Systemtic Name: 2-[[4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]-ethyl-amino]ethyl-trimethyl-azanium; methyl sulfate Openeye Name: 2-[4-(2-cyano-4-nitro-phenyl)azo-N-ethyl-anilino]ethyl-trimethyl-ammonium; methyl sulfate CAS Name: 2-[4-(2-cyano-4-nitrophenyl)azo-N-ethylanilino]ethyl-trimethylammonium; methyl sulfate IUPAC Name: 2-[4-[(2-cyano-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium; methyl sulfate Traditional Name: 2-[4-(2-cyano-4-nitro-phenyl)azo-N-ethyl-anilino]ethyl-trimethyl-ammonium; methyl sulfate Formula: C21H28N6O6S MolecularWeight: 492.54862

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC[N+](C)(C)C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N.COS(=O)(=O)[O-]

Isomeric SMILES

CCN(CC[N+](C)(C)C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N.COS(=O)(=O)[O-]

InChI

InChI=1S/C20H25N6O2.CH4O4S/c1-5-24(12-13-26(2,3)4)18-8-6-17(7-9-18)22-23-20-11-10-19(25(27)28)14-16(20)15-21;1-5-6(2,3)4/h6-11,14H,5,12-13H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1