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

Systemtic Name: 4-[(2-bromanyl-4,6-dinitro-phenyl)diazenyl]-N-ethyl-3-methyl-N-(2-pyridin-1-ium-1-ylethyl)aniline ethanoate Openeye Name: 4-(2-bromo-4,6-dinitro-phenyl)azo-N-ethyl-3-methyl-N-(2-pyridin-1-ium-1-ylethyl)aniline acetate CAS Name: 4-(2-bromo-4,6-dinitrophenyl)azo-N-ethyl-3-methyl-N-[2-(1-pyridin-1-iumyl)ethyl]aniline acetate IUPAC Name: 4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-N-ethyl-3-methyl-N-(2-pyridin-1-ium-1-ylethyl)aniline acetate Traditional Name: [4-(2-bromo-4,6-dinitro-phenyl)azo-3-methyl-phenyl]-ethyl-(2-pyridin-1-ium-1-ylethyl)amine acetate Formula: C24H25BrN6O6 MolecularWeight: 573.3959

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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=C3Br)[N+](=O)[O-])[N+](=O)[O-])C.CC(=O)[O-]

Isomeric SMILES

CCN(CC[N+]1=CC=CC=C1)C2=CC(=C(C=C2)N=NC3=C(C=C(C=C3Br)[N+](=O)[O-])[N+](=O)[O-])C.CC(=O)[O-]

InChI

InChI=1S/C22H22BrN6O4.C2H4O2/c1-3-27(12-11-26-9-5-4-6-10-26)17-7-8-20(16(2)13-17)24-25-22-19(23)14-18(28(30)31)15-21(22)29(32)33;1-2(3)4/h4-10,13-15H,3,11-12H2,1-2H3;1H3,(H,3,4)/q+1;/p-1