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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=NC(=C(S2)C(=O)[O-])C)OCC[NH+]3CCCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=NC(=C(S2)C(=O)[O-])C)OCC[NH+]3CCCC3

InChI

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