1-(2,4-dichlorophenyl)-2-(4-prop-2-enyl-1,2,4-triazol-4-ium-1-yl)ethanone bromide

Systemtic Name: 1-(2,4-dichlorophenyl)-2-(4-prop-2-enyl-1,2,4-triazol-4-ium-1-yl)ethanone bromide Openeye Name: 2-(4-allyl-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dichlorophenyl)ethanone bromide CAS Name: 1-(2,4-dichlorophenyl)-2-(4-prop-2-enyl-1,2,4-triazol-4-ium-1-yl)ethanone bromide IUPAC Name: 1-(2,4-dichlorophenyl)-2-(4-prop-2-enyl-1,2,4-triazol-4-ium-1-yl)ethanone bromide Traditional Name: 2-(4-allyl-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dichlorophenyl)ethanone bromide Formula: C13H12BrCl2N3O MolecularWeight: 377.06388

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=CN(N=C1)CC(=O)C2=C(C=C(C=C2)Cl)Cl.[Br-]

Isomeric SMILES

C=CC[N+]1=CN(N=C1)CC(=O)C2=C(C=C(C=C2)Cl)Cl.[Br-]

InChI

InChI=1S/C13H12Cl2N3O.BrH/c1-2-5-17-8-16-18(9-17)7-13(19)11-4-3-10(14)6-12(11)15;/h2-4,6,8-9H,1,5,7H2;1H/q+1;/p-1