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

Systemtic Name: 2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-yl]ethanoate Openeye Name: 2-[1-[(3-ethylisoxazol-5-yl)methyl]piperidin-1-ium-4-yl]acetate CAS Name: 2-[1-[(3-ethyl-5-isoxazolyl)methyl]-4-piperidin-1-iumyl]acetate IUPAC Name: 2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-yl]acetate Traditional Name: 2-[1-[(3-ethylisoxazol-5-yl)methyl]piperidin-1-ium-4-yl]acetate Formula: C13H20N2O3 MolecularWeight: 252.3095

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1)C[NH+]2CCC(CC2)CC(=O)[O-]

Isomeric SMILES

CCC1=NOC(=C1)C[NH+]2CCC(CC2)CC(=O)[O-]

InChI

InChI=1S/C13H20N2O3/c1-2-11-8-12(18-14-11)9-15-5-3-10(4-6-15)7-13(16)17/h8,10H,2-7,9H2,1H3,(H,16,17)