N,1-bis(phenylmethyl)-1,2,4-triazol-1-ium-4-amine bromide

Systemtic Name: N,1-bis(phenylmethyl)-1,2,4-triazol-1-ium-4-amine bromide Openeye Name: N,1-dibenzyl-1,2,4-triazol-1-ium-4-amine bromide CAS Name: N,1-bis(phenylmethyl)-1,2,4-triazol-1-ium-4-amine bromide IUPAC Name: N,1-dibenzyl-1,2,4-triazol-1-ium-4-amine bromide Traditional Name: benzyl-(1-benzyl-1,2,4-triazol-1-ium-4-yl)amine bromide Formula: C16H17BrN4 MolecularWeight: 345.23698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNN2C=N[N+](=C2)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CNN2C=N[N+](=C2)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C16H17N4.BrH/c1-3-7-15(8-4-1)11-17-20-13-18-19(14-20)12-16-9-5-2-6-10-16;/h1-10,13-14,17H,11-12H2;1H/q+1;/p-1