2-[1-[4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]ethylamino]ethyl-trimethyl-azanium; methyl sulfate

Systemtic Name: 2-[1-[4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]ethylamino]ethyl-trimethyl-azanium; methyl sulfate Openeye Name: 2-[1-[4-(2-cyano-4-nitro-phenyl)azophenyl]ethylamino]ethyl-trimethyl-ammonium; methyl sulfate CAS Name: 2-[1-[4-(2-cyano-4-nitrophenyl)azophenyl]ethylamino]ethyl-trimethylammonium; methyl sulfate IUPAC Name: 2-[1-[4-[(2-cyano-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl-trimethylazanium; methyl sulfate Traditional Name: 2-[1-[4-(2-cyano-4-nitro-phenyl)azophenyl]ethylamino]ethyl-trimethyl-ammonium; methyl sulfate Formula: C21H28N6O6S MolecularWeight: 492.54862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N6O2.CH4O4S/c1-15(22-11-12-26(2,3)4)16-5-7-18(8-6-16)23-24-20-10-9-19(25(27)28)13-17(20)14-21;1-5-6(2,3)4/h5-10,13,15,22H,11-12H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1