4-(2-bromoethyl)-2,5-dimethyl-1H-pyrazol-1-ium-3-one bromide

Systemtic Name: 4-(2-bromoethyl)-2,5-dimethyl-1H-pyrazol-1-ium-3-one bromide Openeye Name: 4-(2-bromoethyl)-2,5-dimethyl-1H-pyrazol-1-ium-3-one bromide CAS Name: 4-(2-bromoethyl)-2,5-dimethyl-1H-pyrazol-1-ium-3-one bromide IUPAC Name: 4-(2-bromoethyl)-2,5-dimethyl-1H-pyrazol-1-ium-3-one bromide Traditional Name: 4-(2-bromoethyl)-2,5-dimethyl-3-pyrazolin-1-ium-3-one bromide Formula: C7H12Br2N2O MolecularWeight: 299.99098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H11BrN2O.BrH/c1-5-6(3-4-8)7(11)10(2)9-5;/h9H,3-4H2,1-2H3;1H