4-(4-chloranyl-1,2-dimethyl-5-phenyldiazenyl-pyrazol-1-ium-3-yl)-N,N-diethyl-3-methyl-aniline nitrate

Systemtic Name: 4-(4-chloranyl-1,2-dimethyl-5-phenyldiazenyl-pyrazol-1-ium-3-yl)-N,N-diethyl-3-methyl-aniline nitrate Openeye Name: 4-(4-chloro-1,2-dimethyl-5-phenylazo-pyrazol-1-ium-3-yl)-N,N-diethyl-3-methyl-aniline nitrate CAS Name: 4-(4-chloro-1,2-dimethyl-5-phenyldiazenyl-3-pyrazol-1-iumyl)-N,N-diethyl-3-methylaniline nitrate IUPAC Name: 4-(4-chloro-1,2-dimethyl-5-phenyldiazenylpyrazol-1-ium-3-yl)-N,N-diethyl-3-methylaniline nitrate Traditional Name: [4-(4-chloro-1,2-dimethyl-5-phenylazo-pyrazol-1-ium-3-yl)-3-methyl-phenyl]-diethyl-amine nitrate Formula: C22H27ClN6O3 MolecularWeight: 458.94118

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C2=C(C(=[N+](N2C)C)N=NC3=CC=CC=C3)Cl)C.[N+](=O)([O-])[O-]

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C2=C(C(=[N+](N2C)C)N=NC3=CC=CC=C3)Cl)C.[N+](=O)([O-])[O-]

InChI

InChI=1S/C22H27ClN5.NO3/c1-6-28(7-2)18-13-14-19(16(3)15-18)21-20(23)22(27(5)26(21)4)25-24-17-11-9-8-10-12-17;2-1(3)4/h8-15H,6-7H2,1-5H3;/q+1;-1