(3S)-4-oxidanylidene-3-piperidin-1-ium-1-yl-4-propan-2-yloxy-butanoate

Systemtic Name: (3S)-4-oxidanylidene-3-piperidin-1-ium-1-yl-4-propan-2-yloxy-butanoate Openeye Name: (3S)-4-isopropoxy-4-oxo-3-piperidin-1-ium-1-yl-butanoate CAS Name: (3S)-4-oxo-3-(1-piperidin-1-iumyl)-4-propan-2-yloxybutanoate IUPAC Name: (3S)-4-oxo-3-piperidin-1-ium-1-yl-4-propan-2-yloxybutanoate Traditional Name: (3S)-4-isopropoxy-4-keto-3-piperidin-1-ium-1-yl-butyrate Formula: C12H21NO4 MolecularWeight: 243.29944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CC(=O)[O-])[NH+]1CCCCC1

Isomeric SMILES

CC(C)OC(=O)[C@H](CC(=O)[O-])[NH+]1CCCCC1

InChI

InChI=1S/C12H21NO4/c1-9(2)17-12(16)10(8-11(14)15)13-6-4-3-5-7-13/h9-10H,3-8H2,1-2H3,(H,14,15)/t10-/m0/s1