2-[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[3-ethoxy-4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-4-methyl-thiazole-5-carboxylate Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=NC(=C(S2)C(=O)[O-])C)OCC[NH+]3CCCCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=NC(=C(S2)C(=O)[O-])C)OCC[NH+]3CCCCC3

InChI

InChI=1S/C20H26N2O4S/c1-3-25-17-13-15(19-21-14(2)18(27-19)20(23)24)7-8-16(17)26-12-11-22-9-5-4-6-10-22/h7-8,13H,3-6,9-12H2,1-2H3,(H,23,24)