3-[[4-(dibutylamino)-2-methyl-phenyl]diazenyl]-1,2-dimethyl-pyrazol-1-ium-4-carbonitrile

Systemtic Name: 3-[[4-(dibutylamino)-2-methyl-phenyl]diazenyl]-1,2-dimethyl-pyrazol-1-ium-4-carbonitrile Openeye Name: 3-[4-(dibutylamino)-2-methyl-phenyl]azo-1,2-dimethyl-pyrazol-1-ium-4-carbonitrile CAS Name: 3-[4-(dibutylamino)-2-methylphenyl]azo-1,2-dimethyl-4-pyrazol-1-iumcarbonitrile IUPAC Name: 3-[[4-(dibutylamino)-2-methylphenyl]diazenyl]-1,2-dimethylpyrazol-1-ium-4-carbonitrile Traditional Name: 3-[4-(dibutylamino)-2-methyl-phenyl]azo-1,2-dimethyl-pyrazol-1-ium-4-carbonitrile Formula: C21H31N6+ MolecularWeight: 367.51104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC(=C(C=C1)N=NC2=C(C=[N+](N2C)C)C#N)C

Isomeric SMILES

CCCCN(CCCC)C1=CC(=C(C=C1)N=NC2=C(C=[N+](N2C)C)C#N)C

InChI

InChI=1S/C21H31N6/c1-6-8-12-27(13-9-7-2)19-10-11-20(17(3)14-19)23-24-21-18(15-22)16-25(4)26(21)5/h10-11,14,16H,6-9,12-13H2,1-5H3/q+1