4-[[2,6-bis(chloranyl)-4-nitro-phenyl]diazenyl]-N-ethyl-3-methyl-N-(2-pyridin-1-ium-1-ylethyl)aniline ethanoate

Systemtic Name: 4-[[2,6-bis(chloranyl)-4-nitro-phenyl]diazenyl]-N-ethyl-3-methyl-N-(2-pyridin-1-ium-1-ylethyl)aniline ethanoate Openeye Name: 4-(2,6-dichloro-4-nitro-phenyl)azo-N-ethyl-3-methyl-N-(2-pyridin-1-ium-1-ylethyl)aniline acetate CAS Name: 4-(2,6-dichloro-4-nitrophenyl)azo-N-ethyl-3-methyl-N-[2-(1-pyridin-1-iumyl)ethyl]aniline acetate IUPAC Name: 4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-3-methyl-N-(2-pyridin-1-ium-1-ylethyl)aniline acetate Traditional Name: [4-(2,6-dichloro-4-nitro-phenyl)azo-3-methyl-phenyl]-ethyl-(2-pyridin-1-ium-1-ylethyl)amine acetate Formula: C24H25Cl2N5O4 MolecularWeight: 518.3924

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC[N+]1=CC=CC=C1)C2=CC(=C(C=C2)N=NC3=C(C=C(C=C3Cl)[N+](=O)[O-])Cl)C.CC(=O)[O-]

Isomeric SMILES

CCN(CC[N+]1=CC=CC=C1)C2=CC(=C(C=C2)N=NC3=C(C=C(C=C3Cl)[N+](=O)[O-])Cl)C.CC(=O)[O-]

InChI

InChI=1S/C22H22Cl2N5O2.C2H4O2/c1-3-28(12-11-27-9-5-4-6-10-27)17-7-8-21(16(2)13-17)25-26-22-19(23)14-18(29(30)31)15-20(22)24;1-2(3)4/h4-10,13-15H,3,11-12H2,1-2H3;1H3,(H,3,4)/q+1;/p-1