Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
N-Benzyl-4-[(1,4-dimethyl-1,5-dihydro-1,2,4-triazol-1-ium-5-yl)diazenyl]-N-methylaniline;bromide 12221-69-1 159441
Structure Other Information
Canonical SMILES C[NH+]1C(N(C=N1)C)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3.[Br-]
Iso SMILES C[NH+]1C(N(C=N1)C)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3.[Br-]
InChI InChI=1S/C18H22N6.BrH/c1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)20-21-18-23(2)14-19-24(18)3;/h4-12,14,18H,13H2,1-3H3;1H
InChI Key GHENLFTVASFMFP-UHFFFAOYSA-N
Formula C18H23BrN6
Mol Weight 403.319
XlogP3 0
Charge 0

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Synonyms Information
CAS Name 4-[(1,4-dimethyl-1,5-dihydro-1,2,4-triazol-1-ium-5-yl)azo]-N-methyl-N-(phenylmethyl)aniline bromide
IUPAC Name N-benzyl-4-[(1,4-dimethyl-1,5-dihydro-1,2,4-triazol-1-ium-5-yl)azo]-N-methyl-aniline bromide
Openeye Name N-benzyl-4-[(1,4-dimethyl-1,5-dihydro-1,2,4-triazol-1-ium-5-yl)diazenyl]-N-methylaniline bromide
Systematic Name 4-[(1,4-dimethyl-1,5-dihydro-1,2,4-triazol-1-ium-5-yl)diazenyl]-N-methyl-N-(phenylmethyl)aniline bromide
Tratitional Name 4-[(1,4-dimethyl-1,5-dihydro-1,2,4-triazol-1-ium-5-yl)diazenyl]-N-methyl-N-(phenylmethyl)aniline bromide