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

Systemtic Name: 2-[[4-[(2-cyano-4-nitro-phenyl)diazenyl]-3-methyl-phenyl]-ethyl-amino]ethyl-trimethyl-azanium; hydrogen sulfate Openeye Name: 2-[4-(2-cyano-4-nitro-phenyl)azo-N-ethyl-3-methyl-anilino]ethyl-trimethyl-ammonium; hydrogen sulfate CAS Name: 2-[4-(2-cyano-4-nitrophenyl)azo-N-ethyl-3-methylanilino]ethyl-trimethylammonium; hydrogen sulfate IUPAC Name: 2-[4-[(2-cyano-4-nitrophenyl)diazenyl]-N-ethyl-3-methylanilino]ethyl-trimethylazanium; hydrogen sulfate Traditional Name: 2-[4-(2-cyano-4-nitro-phenyl)azo-N-ethyl-3-methyl-anilino]ethyl-trimethyl-ammonium bisulfate Formula: C21H28N6O6S MolecularWeight: 492.54862

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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=C(C=C2)[N+](=O)[O-])C#N)C.OS(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H27N6O2.H2O4S/c1-6-25(11-12-27(3,4)5)18-7-9-20(16(2)13-18)23-24-21-10-8-19(26(28)29)14-17(21)15-22;1-5(2,3)4/h7-10,13-14H,6,11-12H2,1-5H3;(H2,1,2,3,4)/q+1;/p-1