5-methyl-2-phenyl-4-pyridin-1-ium-1-yl-4H-pyrazol-3-one bromide

Systemtic Name: 5-methyl-2-phenyl-4-pyridin-1-ium-1-yl-4H-pyrazol-3-one bromide Openeye Name: 5-methyl-2-phenyl-4-pyridin-1-ium-1-yl-4H-pyrazol-3-one bromide CAS Name: 5-methyl-2-phenyl-4-(1-pyridin-1-iumyl)-4H-pyrazol-3-one bromide IUPAC Name: 5-methyl-2-phenyl-4-pyridin-1-ium-1-yl-4H-pyrazol-3-one bromide Traditional Name: 5-methyl-2-phenyl-4-pyridin-1-ium-1-yl-2-pyrazolin-3-one bromide Formula: C15H14BrN3O MolecularWeight: 332.19516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1[N+]2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1=NN(C(=O)C1[N+]2=CC=CC=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C15H14N3O.BrH/c1-12-14(17-10-6-3-7-11-17)15(19)18(16-12)13-8-4-2-5-9-13;/h2-11,14H,1H3;1H/q+1;/p-1