(1,5-dimethyl-2-phenyl-pyrazol-2-ium-3-yl)-(2-methyl-1H-indol-1-ium-3-yl)diazene; 4-methylbenzenesulfonate

Systemtic Name: (1,5-dimethyl-2-phenyl-pyrazol-2-ium-3-yl)-(2-methyl-1H-indol-1-ium-3-yl)diazene; 4-methylbenzenesulfonate Openeye Name: (1,5-dimethyl-2-phenyl-pyrazol-2-ium-3-yl)-(2-methyl-1H-indol-1-ium-3-yl)diazene; 4-methylbenzenesulfonate CAS Name: (1,5-dimethyl-2-phenyl-3-pyrazol-2-iumyl)-(2-methyl-1H-indol-1-ium-3-yl)diazene; 4-methylbenzenesulfonate IUPAC Name: (1,5-dimethyl-2-phenylpyrazol-2-ium-3-yl)-(2-methyl-1H-indol-1-ium-3-yl)diazene; 4-methylbenzenesulfonate Traditional Name: (1,5-dimethyl-2-phenyl-pyrazol-2-ium-3-yl)-(2-methyl-1H-indol-1-ium-3-yl)diazene tosylate Formula: C27H28N5O3S+ MolecularWeight: 502.60792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC(=[N+](N1C)C2=CC=CC=C2)N=NC3=C([NH2+]C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC(=[N+](N1C)C2=CC=CC=C2)N=NC3=C([NH2+]C4=CC=CC=C43)C

InChI

InChI=1S/C20H19N5.C7H8O3S/c1-14-13-19(25(24(14)3)16-9-5-4-6-10-16)22-23-20-15(2)21-18-12-8-7-11-17(18)20;1-6-2-4-7(5-3-6)11(8,9)10/h4-13H,1-3H3;2-5H,1H3,(H,8,9,10)/p+1