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

Systemtic Name: 2-[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazole-4-carboxylate CAS Name: 2-[3-ethoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-4-thiazolecarboxylate IUPAC Name: 2-[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazole-4-carboxylate Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=NC(=CS2)C(=O)[O-])OCC[NH+]3CCCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=NC(=CS2)C(=O)[O-])OCC[NH+]3CCCC3

InChI

InChI=1S/C18H22N2O4S/c1-2-23-16-11-13(17-19-14(12-25-17)18(21)22)5-6-15(16)24-10-9-20-7-3-4-8-20/h5-6,11-12H,2-4,7-10H2,1H3,(H,21,22)