2-[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate

Systemtic Name: 2-[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]thiazole-4-carboxylate CAS Name: 2-[4-methoxy-3-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-4-thiazolecarboxylate IUPAC Name: 2-[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]thiazole-4-carboxylate Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S/c1-23-15-6-5-13(17-19-14(12-25-17)18(21)22)11-16(15)24-10-9-20-7-3-2-4-8-20/h5-6,11-12H,2-4,7-10H2,1H3,(H,21,22)