2-[4-(2-phenylethanoylamino)-1,2,4-triazol-4-ium-1-yl]ethanoic acid bromide

Systemtic Name: 2-[4-(2-phenylethanoylamino)-1,2,4-triazol-4-ium-1-yl]ethanoic acid bromide Openeye Name: 2-[4-[(2-phenylacetyl)amino]-1,2,4-triazol-4-ium-1-yl]acetic acid bromide CAS Name: 2-[4-[(1-oxo-2-phenylethyl)amino]-1,2,4-triazol-4-ium-1-yl]acetic acid bromide IUPAC Name: 2-[4-[(2-phenylacetyl)amino]-1,2,4-triazol-4-ium-1-yl]acetic acid bromide Traditional Name: 2-[4-[(2-phenylacetyl)amino]-1,2,4-triazol-4-ium-1-yl]acetic acid bromide Formula: C12H13BrN4O3 MolecularWeight: 341.16062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)N[N+]2=CN(N=C2)CC(=O)O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)N[N+]2=CN(N=C2)CC(=O)O.[Br-]

InChI

InChI=1S/C12H12N4O3.BrH/c17-11(6-10-4-2-1-3-5-10)14-16-8-13-15(9-16)7-12(18)19;/h1-5,8-9H,6-7H2,(H-,14,17,18,19);1H