2-[[4-[(5-chloranyl-2-cyano-phenyl)diazenyl]-3-methyl-phenyl]-ethyl-amino]ethyl-trimethyl-azanium; methyl sulfate

Systemtic Name: 2-[[4-[(5-chloranyl-2-cyano-phenyl)diazenyl]-3-methyl-phenyl]-ethyl-amino]ethyl-trimethyl-azanium; methyl sulfate Openeye Name: 2-[4-(5-chloro-2-cyano-phenyl)azo-N-ethyl-3-methyl-anilino]ethyl-trimethyl-ammonium; methyl sulfate CAS Name: 2-[4-(5-chloro-2-cyanophenyl)azo-N-ethyl-3-methylanilino]ethyl-trimethylammonium; methyl sulfate IUPAC Name: 2-[4-[(5-chloro-2-cyanophenyl)diazenyl]-N-ethyl-3-methylanilino]ethyl-trimethylazanium; methyl sulfate Traditional Name: 2-[4-(5-chloro-2-cyano-phenyl)azo-N-ethyl-3-methyl-anilino]ethyl-trimethyl-ammonium; methyl sulfate Formula: C22H30ClN5O4S MolecularWeight: 496.0227

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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=CC(=C2)Cl)C#N)C.COS(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN5.CH4O4S/c1-6-26(11-12-27(3,4)5)19-9-10-20(16(2)13-19)24-25-21-14-18(22)8-7-17(21)15-23;1-5-6(2,3)4/h7-10,13-14H,6,11-12H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1