ethyl (2S)-3,3,3-tris(fluoranyl)-2-(3-methylbutanoylamino)-2-piperidin-1-ium-1-yl-propanoate

Systemtic Name: ethyl (2S)-3,3,3-tris(fluoranyl)-2-(3-methylbutanoylamino)-2-piperidin-1-ium-1-yl-propanoate Openeye Name: ethyl (2S)-3,3,3-trifluoro-2-(3-methylbutanoylamino)-2-piperidin-1-ium-1-yl-propanoate CAS Name: (2S)-3,3,3-trifluoro-2-[(3-methyl-1-oxobutyl)amino]-2-(1-piperidin-1-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-3,3,3-trifluoro-2-(3-methylbutanoylamino)-2-piperidin-1-ium-1-ylpropanoate Traditional Name: (2S)-3,3,3-trifluoro-2-(isovalerylamino)-2-piperidin-1-ium-1-yl-propionic acid ethyl ester Formula: C15H26F3N2O3+ MolecularWeight: 339.37375

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(F)(F)F)(NC(=O)CC(C)C)[NH+]1CCCCC1

Isomeric SMILES

CCOC(=O)[C@](C(F)(F)F)(NC(=O)CC(C)C)[NH+]1CCCCC1

InChI

InChI=1S/C15H25F3N2O3/c1-4-23-13(22)14(15(16,17)18,19-12(21)10-11(2)3)20-8-6-5-7-9-20/h11H,4-10H2,1-3H3,(H,19,21)/p+1/t14-/m0/s1