2-[[4-[(2-chloranyl-4-nitro-phenyl)diazenyl]-3-methyl-phenyl]-ethyl-amino]ethyl-diethyl-methyl-azanium chloride

Systemtic Name: 2-[[4-[(2-chloranyl-4-nitro-phenyl)diazenyl]-3-methyl-phenyl]-ethyl-amino]ethyl-diethyl-methyl-azanium chloride Openeye Name: 2-[4-(2-chloro-4-nitro-phenyl)azo-N-ethyl-3-methyl-anilino]ethyl-diethyl-methyl-ammonium chloride CAS Name: 2-[4-(2-chloro-4-nitrophenyl)azo-N-ethyl-3-methylanilino]ethyl-diethyl-methylammonium chloride IUPAC Name: 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-3-methylanilino]ethyl-diethyl-methylazanium chloride Traditional Name: 2-[4-(2-chloro-4-nitro-phenyl)azo-N-ethyl-3-methyl-anilino]ethyl-diethyl-methyl-ammonium chloride Formula: C22H31Cl2N5O2 MolecularWeight: 468.41984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31ClN5O2.ClH/c1-6-26(13-14-28(5,7-2)8-3)18-9-11-21(17(4)15-18)24-25-22-12-10-19(27(29)30)16-20(22)23;/h9-12,15-16H,6-8,13-14H2,1-5H3;1H/q+1;/p-1