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

Systemtic Name: 2-[3-chloranyl-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[3-chloro-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazole-4-carboxylate CAS Name: 2-[3-chloro-5-methoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-4-thiazolecarboxylate IUPAC Name: 2-[3-chloro-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[3-chloro-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazole-4-carboxylate Formula: C17H19ClN2O4S MolecularWeight: 382.86176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=NC(=CS2)C(=O)[O-])Cl)OCC[NH+]3CCCC3

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=NC(=CS2)C(=O)[O-])Cl)OCC[NH+]3CCCC3

InChI

InChI=1S/C17H19ClN2O4S/c1-23-14-9-11(16-19-13(10-25-16)17(21)22)8-12(18)15(14)24-7-6-20-4-2-3-5-20/h8-10H,2-7H2,1H3,(H,21,22)