4-(2-bromoethyl)-5-methyl-1,2-dihydropyrazol-1-ium-3-one bromide

Systemtic Name: 4-(2-bromoethyl)-5-methyl-1,2-dihydropyrazol-1-ium-3-one bromide Openeye Name: 4-(2-bromoethyl)-5-methyl-1,2-dihydropyrazol-1-ium-3-one bromide CAS Name: 4-(2-bromoethyl)-5-methyl-1,2-dihydropyrazol-1-ium-3-one bromide IUPAC Name: 4-(2-bromoethyl)-5-methyl-1,2-dihydropyrazol-1-ium-3-one bromide Traditional Name: 4-(2-bromoethyl)-5-methyl-3-pyrazolin-1-ium-3-one bromide Formula: C6H10Br2N2O MolecularWeight: 285.9644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N[NH2+]1)CCBr.[Br-]

Isomeric SMILES

CC1=C(C(=O)N[NH2+]1)CCBr.[Br-]

InChI

InChI=1S/C6H9BrN2O.BrH/c1-4-5(2-3-7)6(10)9-8-4;/h2-3H2,1H3,(H2,8,9,10);1H