5-(4-methylpiperidin-1-ium-4-yl)-1,2-oxazol-3-one bromide

Systemtic Name: 5-(4-methylpiperidin-1-ium-4-yl)-1,2-oxazol-3-one bromide Openeye Name: 5-(4-methylpiperidin-1-ium-4-yl)isoxazol-3-one bromide CAS Name: 5-(4-methyl-4-piperidin-1-iumyl)-3-isoxazolone bromide IUPAC Name: 5-(4-methylpiperidin-1-ium-4-yl)-1,2-oxazol-3-one bromide Traditional Name: 5-(4-methylpiperidin-1-ium-4-yl)-4-isoxazolin-3-one bromide Formula: C9H15BrN2O2 MolecularWeight: 263.1316

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC[NH2+]CC1)C2=CC(=O)NO2.[Br-]

Isomeric SMILES

CC1(CC[NH2+]CC1)C2=CC(=O)NO2.[Br-]

InChI

InChI=1S/C9H14N2O2.BrH/c1-9(2-4-10-5-3-9)7-6-8(12)11-13-7;/h6,10H,2-5H2,1H3,(H,11,12);1H