2-[1-[4-[(2-cyano-4-nitro-phenyl)diazenyl]-3-methyl-phenyl]ethylamino]ethyl-trimethyl-azanium; methyl sulfate

Systemtic Name: 2-[1-[4-[(2-cyano-4-nitro-phenyl)diazenyl]-3-methyl-phenyl]ethylamino]ethyl-trimethyl-azanium; methyl sulfate Openeye Name: 2-[1-[4-(2-cyano-4-nitro-phenyl)azo-3-methyl-phenyl]ethylamino]ethyl-trimethyl-ammonium; methyl sulfate CAS Name: 2-[1-[4-(2-cyano-4-nitrophenyl)azo-3-methylphenyl]ethylamino]ethyl-trimethylammonium; methyl sulfate IUPAC Name: 2-[1-[4-[(2-cyano-4-nitrophenyl)diazenyl]-3-methylphenyl]ethylamino]ethyl-trimethylazanium; methyl sulfate Traditional Name: 2-[1-[4-(2-cyano-4-nitro-phenyl)azo-3-methyl-phenyl]ethylamino]ethyl-trimethyl-ammonium; methyl sulfate Formula: C22H30N6O6S MolecularWeight: 506.5752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)NCC[N+](C)(C)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)NCC[N+](C)(C)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N.COS(=O)(=O)[O-]

InChI

InChI=1S/C21H27N6O2.CH4O4S/c1-15-12-17(16(2)23-10-11-27(3,4)5)6-8-20(15)24-25-21-9-7-19(26(28)29)13-18(21)14-22;1-5-6(2,3)4/h6-9,12-13,16,23H,10-11H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1