2-[4-[methyl(2-phenylethanoyl)amino]-1,2,4-triazol-1-ium-1-yl]ethanoic acid bromide

Systemtic Name: 2-[4-[methyl(2-phenylethanoyl)amino]-1,2,4-triazol-1-ium-1-yl]ethanoic acid bromide Openeye Name: 2-[4-[methyl-(2-phenylacetyl)amino]-1,2,4-triazol-1-ium-1-yl]acetic acid bromide CAS Name: 2-[4-[methyl-(1-oxo-2-phenylethyl)amino]-1,2,4-triazol-1-ium-1-yl]acetic acid bromide IUPAC Name: 2-[4-[methyl-(2-phenylacetyl)amino]-1,2,4-triazol-1-ium-1-yl]acetic acid bromide Traditional Name: 2-[4-[methyl-(2-phenylacetyl)amino]-1,2,4-triazol-1-ium-1-yl]acetic acid bromide Formula: C13H15BrN4O3 MolecularWeight: 355.1872

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CC1=CC=CC=C1)N2C=N[N+](=C2)CC(=O)O.[Br-]

Isomeric SMILES

CN(C(=O)CC1=CC=CC=C1)N2C=N[N+](=C2)CC(=O)O.[Br-]

InChI

InChI=1S/C13H14N4O3.BrH/c1-15(12(18)7-11-5-3-2-4-6-11)17-9-14-16(10-17)8-13(19)20;/h2-6,9-10H,7-8H2,1H3;1H