2-[1-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-yl]ethanoate

Systemtic Name: 2-[1-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-yl]ethanoate Openeye Name: 2-[1-[(3-propylisoxazol-5-yl)methyl]piperidin-1-ium-4-yl]acetate CAS Name: 2-[1-[(3-propyl-5-isoxazolyl)methyl]-4-piperidin-1-iumyl]acetate IUPAC Name: 2-[1-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-yl]acetate Traditional Name: 2-[1-[(3-propylisoxazol-5-yl)methyl]piperidin-1-ium-4-yl]acetate Formula: C14H22N2O3 MolecularWeight: 266.33608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=C1)C[NH+]2CCC(CC2)CC(=O)[O-]

Isomeric SMILES

CCCC1=NOC(=C1)C[NH+]2CCC(CC2)CC(=O)[O-]

InChI

InChI=1S/C14H22N2O3/c1-2-3-12-9-13(19-15-12)10-16-6-4-11(5-7-16)8-14(17)18/h9,11H,2-8,10H2,1H3,(H,17,18)