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

Systemtic Name: 2-[3-chloranyl-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[3-chloro-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazole-4-carboxylate CAS Name: 2-[3-chloro-5-ethoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-4-thiazolecarboxylate IUPAC Name: 2-[3-chloro-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[3-chloro-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazole-4-carboxylate Formula: C18H21ClN2O4S MolecularWeight: 396.88834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O4S/c1-2-24-15-10-12(17-20-14(11-26-17)18(22)23)9-13(19)16(15)25-8-7-21-5-3-4-6-21/h9-11H,2-8H2,1H3,(H,22,23)