ethyl 2-(1-methyl-4-phenacyl-1,2,4-triazol-4-ium-3-yl)ethanoate bromide

Systemtic Name: ethyl 2-(1-methyl-4-phenacyl-1,2,4-triazol-4-ium-3-yl)ethanoate bromide Openeye Name: ethyl 2-(1-methyl-4-phenacyl-1,2,4-triazol-4-ium-3-yl)acetate bromide CAS Name: 2-(1-methyl-4-phenacyl-1,2,4-triazol-4-ium-3-yl)acetic acid ethyl ester bromide IUPAC Name: ethyl 2-(1-methyl-4-phenacyl-1,2,4-triazol-4-ium-3-yl)acetate bromide Traditional Name: 2-(1-methyl-4-phenacyl-1,2,4-triazol-4-ium-3-yl)acetic acid ethyl ester bromide Formula: C15H18BrN3O3 MolecularWeight: 368.22572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C=[N+]1CC(=O)C2=CC=CC=C2)C.[Br-]

Isomeric SMILES

CCOC(=O)CC1=NN(C=[N+]1CC(=O)C2=CC=CC=C2)C.[Br-]

InChI

InChI=1S/C15H18N3O3.BrH/c1-3-21-15(20)9-14-16-17(2)11-18(14)10-13(19)12-7-5-4-6-8-12;/h4-8,11H,3,9-10H2,1-2H3;1H/q+1;/p-1