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

Systemtic Name: 4-hexyl-5-piperidin-1-ium-4-yl-1,2-oxazol-3-one bromide Openeye Name: 4-hexyl-5-piperidin-1-ium-4-yl-isoxazol-3-one bromide CAS Name: 4-hexyl-5-(4-piperidin-1-iumyl)-3-isoxazolone bromide IUPAC Name: 4-hexyl-5-piperidin-1-ium-4-yl-1,2-oxazol-3-one bromide Traditional Name: 4-hexyl-5-piperidin-1-ium-4-yl-4-isoxazolin-3-one bromide Formula: C14H25BrN2O2 MolecularWeight: 333.2645

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(ONC1=O)C2CC[NH2+]CC2.[Br-]

Isomeric SMILES

CCCCCCC1=C(ONC1=O)C2CC[NH2+]CC2.[Br-]

InChI

InChI=1S/C14H24N2O2.BrH/c1-2-3-4-5-6-12-13(18-16-14(12)17)11-7-9-15-10-8-11;/h11,15H,2-10H2,1H3,(H,16,17);1H