4-butyl-5-piperidin-1-ium-4-yl-1,2-oxazol-3-one bromide

Systemtic Name: 4-butyl-5-piperidin-1-ium-4-yl-1,2-oxazol-3-one bromide Openeye Name: 4-butyl-5-piperidin-1-ium-4-yl-isoxazol-3-one bromide CAS Name: 4-butyl-5-(4-piperidin-1-iumyl)-3-isoxazolone bromide IUPAC Name: 4-butyl-5-piperidin-1-ium-4-yl-1,2-oxazol-3-one bromide Traditional Name: 4-butyl-5-piperidin-1-ium-4-yl-4-isoxazolin-3-one bromide Formula: C12H21BrN2O2 MolecularWeight: 305.21134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(ONC1=O)C2CC[NH2+]CC2.[Br-]

Isomeric SMILES

CCCCC1=C(ONC1=O)C2CC[NH2+]CC2.[Br-]

InChI

InChI=1S/C12H20N2O2.BrH/c1-2-3-4-10-11(16-14-12(10)15)9-5-7-13-8-6-9;/h9,13H,2-8H2,1H3,(H,14,15);1H