(5-butyl-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-pyridin-2-yl-methanone

Systemtic Name: (5-butyl-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-pyridin-2-yl-methanone Openeye Name: (5-butyl-2-oxido-4,5-dihydroisoxazol-2-ium-3-yl)-(2-pyridyl)methanone CAS Name: (5-butyl-2-oxido-4,5-dihydroisoxazol-2-ium-3-yl)-(2-pyridinyl)methanone IUPAC Name: (5-butyl-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-pyridin-2-ylmethanone Traditional Name: (5-butyl-2-oxido-2-isoxazolin-2-ium-3-yl)-(2-pyridyl)methanone Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(=[N+](O1)[O-])C(=O)C2=CC=CC=N2

Isomeric SMILES

CCCCC1CC(=[N+](O1)[O-])C(=O)C2=CC=CC=N2

InChI

InChI=1S/C13H16N2O3/c1-2-3-6-10-9-12(15(17)18-10)13(16)11-7-4-5-8-14-11/h4-5,7-8,10H,2-3,6,9H2,1H3