4-[(1,4-dimethyl-3-phenyl-1,5-dihydro-1,2,4-triazol-1-ium-5-yl)diazenyl]-N-phenethyl-aniline chloride

Systemtic Name: 4-[(1,4-dimethyl-3-phenyl-1,5-dihydro-1,2,4-triazol-1-ium-5-yl)diazenyl]-N-phenethyl-aniline chloride Openeye Name: 4-[(1,4-dimethyl-3-phenyl-1,5-dihydro-1,2,4-triazol-1-ium-5-yl)azo]-N-phenethyl-aniline chloride CAS Name: 4-[(1,4-dimethyl-3-phenyl-1,5-dihydro-1,2,4-triazol-1-ium-5-yl)azo]-N-phenethylaniline chloride IUPAC Name: 4-[(1,4-dimethyl-3-phenyl-1,5-dihydro-1,2,4-triazol-1-ium-5-yl)diazenyl]-N-phenethylaniline chloride Traditional Name: [4-[(1,4-dimethyl-3-phenyl-1,5-dihydro-1,2,4-triazol-1-ium-5-yl)azo]phenyl]-phenethyl-amine chloride Formula: C24H27ClN6 MolecularWeight: 434.96438

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C(N(C(=N1)C2=CC=CC=C2)C)N=NC3=CC=C(C=C3)NCCC4=CC=CC=C4.[Cl-]

Isomeric SMILES

C[NH+]1C(N(C(=N1)C2=CC=CC=C2)C)N=NC3=CC=C(C=C3)NCCC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C24H26N6.ClH/c1-29-23(20-11-7-4-8-12-20)28-30(2)24(29)27-26-22-15-13-21(14-16-22)25-18-17-19-9-5-3-6-10-19;/h3-16,24-25H,17-18H2,1-2H3;1H