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

Systemtic Name: 5-piperidin-1-ium-4-yl-1,2-oxazol-3-one Openeye Name: 5-piperidin-1-ium-4-ylisoxazol-3-one CAS Name: 5-(4-piperidin-1-iumyl)-3-isoxazolone IUPAC Name: 5-piperidin-1-ium-4-yl-1,2-oxazol-3-one Traditional Name: 5-piperidin-1-ium-4-yl-4-isoxazolin-3-one Formula: C8H13N2O2+ MolecularWeight: 169.20102

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C2=CC(=O)NO2

Isomeric SMILES

C1C[NH2+]CCC1C2=CC(=O)NO2

InChI

InChI=1S/C8H12N2O2/c11-8-5-7(12-10-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H,10,11)/p+1