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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O3/c1-10(2)13-8-12(19-15-13)9-16-5-3-11(4-6-16)7-14(17)18/h8,10-11H,3-7,9H2,1-2H3,(H,17,18)