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

Systemtic Name: 2-[5-chloranyl-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[5-chloro-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]thiazole-4-carboxylate CAS Name: 2-[5-chloro-2-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]-4-thiazolecarboxylate IUPAC Name: 2-[5-chloro-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[5-chloro-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]thiazole-4-carboxylate Formula: C16H17ClN2O4S MolecularWeight: 368.83518

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCOC2=C(C=C(C=C2)Cl)C3=NC(=CS3)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCOC2=C(C=C(C=C2)Cl)C3=NC(=CS3)C(=O)[O-]

InChI

InChI=1S/C16H17ClN2O4S/c17-11-1-2-14(23-8-5-19-3-6-22-7-4-19)12(9-11)15-18-13(10-24-15)16(20)21/h1-2,9-10H,3-8H2,(H,20,21)