1-[(3-methylbenzotriazol-5-yl)-phenyl-methyl]-1,2,4-triazol-4-ium-4-amine bromide

Systemtic Name: 1-[(3-methylbenzotriazol-5-yl)-phenyl-methyl]-1,2,4-triazol-4-ium-4-amine bromide Openeye Name: 1-[(3-methylbenzotriazol-5-yl)-phenyl-methyl]-1,2,4-triazol-4-ium-4-amine bromide CAS Name: 1-[(3-methyl-5-benzotriazolyl)-phenylmethyl]-1,2,4-triazol-4-ium-4-amine bromide IUPAC Name: 1-[(3-methylbenzotriazol-5-yl)-phenylmethyl]-1,2,4-triazol-4-ium-4-amine bromide Traditional Name: [1-[(3-methylbenzotriazol-5-yl)-phenyl-methyl]-1,2,4-triazol-4-ium-4-yl]amine bromide Formula: C16H16BrN7 MolecularWeight: 386.24914

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(C3=CC=CC=C3)N4C=[N+](C=N4)N)N=N1.[Br-]

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(C3=CC=CC=C3)N4C=[N+](C=N4)N)N=N1.[Br-]

InChI

InChI=1S/C16H16N7.BrH/c1-21-15-9-13(7-8-14(15)19-20-21)16(12-5-3-2-4-6-12)23-11-22(17)10-18-23;/h2-11,16H,17H2,1H3;1H/q+1;/p-1