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

Systemtic Name: 2-[1-[4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]ethylamino]ethyl-trimethyl-azanium chloride Openeye Name: 2-[1-[4-(2-cyano-4-nitro-phenyl)azophenyl]ethylamino]ethyl-trimethyl-ammonium chloride CAS Name: 2-[1-[4-(2-cyano-4-nitrophenyl)azophenyl]ethylamino]ethyl-trimethylammonium chloride IUPAC Name: 2-[1-[4-[(2-cyano-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl-trimethylazanium chloride Traditional Name: 2-[1-[4-(2-cyano-4-nitro-phenyl)azophenyl]ethylamino]ethyl-trimethyl-ammonium chloride Formula: C20H25ClN6O2 MolecularWeight: 416.9045

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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.[Cl-]

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.[Cl-]

InChI

InChI=1S/C20H25N6O2.ClH/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;/h5-10,13,15,22H,11-12H2,1-4H3;1H/q+1;/p-1