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

Systemtic Name: 2-[2-[4-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[4-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]thiazol-4-yl]acetate CAS Name: 2-[2-[4-methoxy-2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[4-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[4-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(=C(C=C1)C2=NC(=CS2)CC(=O)[O-])OCC[NH+]3CCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NC(=CS2)CC(=O)[O-])OCC[NH+]3CCCCC3

InChI

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