4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N,N-diethyl-aniline ethanoate

Systemtic Name: 4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N,N-diethyl-aniline ethanoate Openeye Name: 4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)azo]-N,N-diethyl-aniline acetate CAS Name: 4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)azo]-N,N-diethylaniline acetate IUPAC Name: 4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N,N-diethylaniline acetate Traditional Name: [4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)azo]phenyl]-diethyl-amine acetate Formula: C16H24N6O2 MolecularWeight: 332.40076

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)N=NC2=[N+](C=NN2C)C.CC(=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)N=NC2=[N+](C=NN2C)C.CC(=O)[O-]

InChI

InChI=1S/C14H21N6.C2H4O2/c1-5-20(6-2)13-9-7-12(8-10-13)16-17-14-18(3)11-15-19(14)4;1-2(3)4/h7-11H,5-6H2,1-4H3;1H3,(H,3,4)/q+1;/p-1