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

Systemtic Name: 2-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazole-4-carboxylate CAS Name: 2-[3-methoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-4-thiazolecarboxylate IUPAC Name: 2-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazole-4-carboxylate Formula: C17H20N2O4S MolecularWeight: 348.4167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4S/c1-22-15-10-12(16-18-13(11-24-16)17(20)21)4-5-14(15)23-9-8-19-6-2-3-7-19/h4-5,10-11H,2-3,6-9H2,1H3,(H,20,21)