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

Systemtic Name: 5-piperidin-1-ium-4-yl-4-propyl-1,2-oxazol-3-one bromide Openeye Name: 5-piperidin-1-ium-4-yl-4-propyl-isoxazol-3-one bromide CAS Name: 5-(4-piperidin-1-iumyl)-4-propyl-3-isoxazolone bromide IUPAC Name: 5-piperidin-1-ium-4-yl-4-propyl-1,2-oxazol-3-one bromide Traditional Name: 5-piperidin-1-ium-4-yl-4-propyl-4-isoxazolin-3-one bromide Formula: C11H19BrN2O2 MolecularWeight: 291.18476

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(ONC1=O)C2CC[NH2+]CC2.[Br-]

Isomeric SMILES

CCCC1=C(ONC1=O)C2CC[NH2+]CC2.[Br-]

InChI

InChI=1S/C11H18N2O2.BrH/c1-2-3-9-10(15-13-11(9)14)8-4-6-12-7-5-8;/h8,12H,2-7H2,1H3,(H,13,14);1H