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

Systemtic Name: 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-yl]ethanoate Openeye Name: 2-[1-[(3-methylisoxazol-5-yl)methyl]piperidin-1-ium-4-yl]acetate CAS Name: 2-[1-[(3-methyl-5-isoxazolyl)methyl]-4-piperidin-1-iumyl]acetate IUPAC Name: 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-yl]acetate Traditional Name: 2-[1-[(3-methylisoxazol-5-yl)methyl]piperidin-1-ium-4-yl]acetate Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C[NH+]2CCC(CC2)CC(=O)[O-]

Isomeric SMILES

CC1=NOC(=C1)C[NH+]2CCC(CC2)CC(=O)[O-]

InChI

InChI=1S/C12H18N2O3/c1-9-6-11(17-13-9)8-14-4-2-10(3-5-14)7-12(15)16/h6,10H,2-5,7-8H2,1H3,(H,15,16)