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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)C2=CC(=C(C=C2)OCC[NH+]3CCCC3)OCC)C(=O)[O-]

Isomeric SMILES

CCC1=C(SC(=N1)C2=CC(=C(C=C2)OCC[NH+]3CCCC3)OCC)C(=O)[O-]

InChI

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