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

Systemtic Name: 4-ethyl-2-[4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-5-carboxylate Openeye Name: 4-ethyl-2-[4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazole-5-carboxylate CAS Name: 4-ethyl-2-[4-methoxy-3-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-5-thiazolecarboxylate IUPAC Name: 4-ethyl-2-[4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-5-carboxylate Traditional Name: 4-ethyl-2-[4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazole-5-carboxylate Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O4S/c1-3-14-17(19(22)23)26-18(20-14)13-6-7-15(24-2)16(12-13)25-11-10-21-8-4-5-9-21/h6-7,12H,3-5,8-11H2,1-2H3,(H,22,23)