4-[(2-chloranyl-4-methylsulfonyl-phenyl)diazenyl]-N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline chloride

Systemtic Name: 4-[(2-chloranyl-4-methylsulfonyl-phenyl)diazenyl]-N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline chloride Openeye Name: 4-(2-chloro-4-methylsulfonyl-phenyl)azo-N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline chloride CAS Name: 4-(2-chloro-4-methylsulfonylphenyl)azo-N-ethyl-N-[2-(1-pyridin-1-iumyl)ethyl]aniline chloride IUPAC Name: 4-[(2-chloro-4-methylsulfonylphenyl)diazenyl]-N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline chloride Traditional Name: [4-(2-chloro-4-mesyl-phenyl)azophenyl]-ethyl-(2-pyridin-1-ium-1-ylethyl)amine chloride Formula: C22H24Cl2N4O2S MolecularWeight: 479.42256

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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=C3)S(=O)(=O)C)Cl.[Cl-]

Isomeric SMILES

CCN(CC[N+]1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)S(=O)(=O)C)Cl.[Cl-]

InChI

InChI=1S/C22H24ClN4O2S.ClH/c1-3-27(16-15-26-13-5-4-6-14-26)19-9-7-18(8-10-19)24-25-22-12-11-20(17-21(22)23)30(2,28)29;/h4-14,17H,3,15-16H2,1-2H3;1H/q+1;/p-1