zinc 4-[(2-cyclohexyl-1-methyl-pyrazol-1-ium-3-yl)diazenyl]-N,N-diethyl-aniline tetrachloride

Systemtic Name: zinc 4-[(2-cyclohexyl-1-methyl-pyrazol-1-ium-3-yl)diazenyl]-N,N-diethyl-aniline tetrachloride Openeye Name: zinc 4-(2-cyclohexyl-1-methyl-pyrazol-1-ium-3-yl)azo-N,N-diethyl-aniline tetrachloride CAS Name: zinc 4-[(2-cyclohexyl-1-methyl-3-pyrazol-1-iumyl)azo]-N,N-diethylaniline tetrachloride IUPAC Name: zinc 4-[(2-cyclohexyl-1-methylpyrazol-1-ium-3-yl)diazenyl]-N,N-diethylaniline tetrachloride Traditional Name: zinc [4-(2-cyclohexyl-1-methyl-pyrazol-1-ium-3-yl)azophenyl]-diethyl-amine tetrachloride Formula: C40H60Cl4N10Zn MolecularWeight: 888.1924

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)N=NC2=CC=[N+](N2C3CCCCC3)C.CCN(CC)C1=CC=C(C=C1)N=NC2=CC=[N+](N2C3CCCCC3)C.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)N=NC2=CC=[N+](N2C3CCCCC3)C.CCN(CC)C1=CC=C(C=C1)N=NC2=CC=[N+](N2C3CCCCC3)C.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]

InChI

InChI=1S/2C20H30N5.4ClH.Zn/c2*1-4-24(5-2)18-13-11-17(12-14-18)21-22-20-15-16-23(3)25(20)19-9-7-6-8-10-19;;;;;/h2*11-16,19H,4-10H2,1-3H3;4*1H;/q2*+1;;;;;+2/p-4