4-[(1,2-dimethyl-5-phenyl-pyrazol-2-ium-3-yl)diazenyl]-N,N-diethyl-3-methyl-aniline ethanoate

Systemtic Name: 4-[(1,2-dimethyl-5-phenyl-pyrazol-2-ium-3-yl)diazenyl]-N,N-diethyl-3-methyl-aniline ethanoate Openeye Name: 4-(1,2-dimethyl-5-phenyl-pyrazol-2-ium-3-yl)azo-N,N-diethyl-3-methyl-aniline acetate CAS Name: 4-[(1,2-dimethyl-5-phenyl-3-pyrazol-2-iumyl)azo]-N,N-diethyl-3-methylaniline acetate IUPAC Name: 4-[(1,2-dimethyl-5-phenylpyrazol-2-ium-3-yl)diazenyl]-N,N-diethyl-3-methylaniline acetate Traditional Name: [4-(1,2-dimethyl-5-phenyl-pyrazol-2-ium-3-yl)azo-3-methyl-phenyl]-diethyl-amine acetate Formula: C24H31N5O2 MolecularWeight: 421.53524

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)N=NC2=[N+](N(C(=C2)C3=CC=CC=C3)C)C)C.CC(=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)N=NC2=[N+](N(C(=C2)C3=CC=CC=C3)C)C)C.CC(=O)[O-]

InChI

InChI=1S/C22H28N5.C2H4O2/c1-6-27(7-2)19-13-14-20(17(3)15-19)23-24-22-16-21(25(4)26(22)5)18-11-9-8-10-12-18;1-2(3)4/h8-16H,6-7H2,1-5H3;1H3,(H,3,4)/q+1;/p-1