2-[[4-[(2-chloranyl-4-nitro-phenyl)diazenyl]phenyl]-ethyl-amino]ethyl-trimethyl-azanium ethanoate

Systemtic Name: 2-[[4-[(2-chloranyl-4-nitro-phenyl)diazenyl]phenyl]-ethyl-amino]ethyl-trimethyl-azanium ethanoate Openeye Name: 2-[4-(2-chloro-4-nitro-phenyl)azo-N-ethyl-anilino]ethyl-trimethyl-ammonium acetate CAS Name: 2-[4-(2-chloro-4-nitrophenyl)azo-N-ethylanilino]ethyl-trimethylammonium acetate IUPAC Name: 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium acetate Traditional Name: 2-[4-(2-chloro-4-nitro-phenyl)azo-N-ethyl-anilino]ethyl-trimethyl-ammonium acetate Formula: C21H28ClN5O4 MolecularWeight: 449.93112

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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-])Cl.CC(=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-])Cl.CC(=O)[O-]

InChI

InChI=1S/C19H25ClN5O2.C2H4O2/c1-5-23(12-13-25(2,3)4)16-8-6-15(7-9-16)21-22-19-11-10-17(24(26)27)14-18(19)20;1-2(3)4/h6-11,14H,5,12-13H2,1-4H3;1H3,(H,3,4)/q+1;/p-1