2-[2-[3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: 2-[2-[3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]thiazol-4-yl]acetate CAS Name: 2-[2-[3-methoxy-2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]thiazol-4-yl]acetate Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC[NH+]2CCCCC2)C3=NC(=CS3)CC(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OCC[NH+]2CCCCC2)C3=NC(=CS3)CC(=O)[O-]

InChI

InChI=1S/C19H24N2O4S/c1-24-16-7-5-6-15(19-20-14(13-26-19)12-17(22)23)18(16)25-11-10-21-8-3-2-4-9-21/h5-7,13H,2-4,8-12H2,1H3,(H,22,23)