4-[(4-bromanyl-2,3-dimethyl-1,2-thiazol-2-ium-5-yl)diazenyl]-N,N-diethyl-aniline; methyl sulfate

Systemtic Name: 4-[(4-bromanyl-2,3-dimethyl-1,2-thiazol-2-ium-5-yl)diazenyl]-N,N-diethyl-aniline; methyl sulfate Openeye Name: 4-(4-bromo-2,3-dimethyl-isothiazol-2-ium-5-yl)azo-N,N-diethyl-aniline; methyl sulfate CAS Name: 4-[(4-bromo-2,3-dimethyl-5-isothiazol-2-iumyl)azo]-N,N-diethylaniline; methyl sulfate IUPAC Name: 4-[(4-bromo-2,3-dimethyl-1,2-thiazol-2-ium-5-yl)diazenyl]-N,N-diethylaniline; methyl sulfate Traditional Name: [4-(4-bromo-2,3-dimethyl-isothiazol-2-ium-5-yl)azophenyl]-diethyl-amine; methyl sulfate Formula: C16H23BrN4O4S2 MolecularWeight: 479.41222

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)N=NC2=C(C(=[N+](S2)C)C)Br.COS(=O)(=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)N=NC2=C(C(=[N+](S2)C)C)Br.COS(=O)(=O)[O-]

InChI

InChI=1S/C15H20BrN4S.CH4O4S/c1-5-20(6-2)13-9-7-12(8-10-13)17-18-15-14(16)11(3)19(4)21-15;1-5-6(2,3)4/h7-10H,5-6H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1