1-(benzotriazol-1-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-(benzotriazol-1-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(benzotriazol-1-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanone bromide CAS Name: 1-(1-benzotriazolyl)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]ethanone bromide IUPAC Name: 1-(benzotriazol-1-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(benzotriazol-1-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanone bromide Formula: C15H16BrN5O MolecularWeight: 362.22444

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)CC(=O)N2C3=CC=CC=C3N=N2.[Br-]

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)CC(=O)N2C3=CC=CC=C3N=N2.[Br-]

InChI

InChI=1S/C15H16N5O.BrH/c1-18(2)12-7-9-19(10-8-12)11-15(21)20-14-6-4-3-5-13(14)16-17-20;/h3-10H,11H2,1-2H3;1H/q+1;/p-1