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

Systemtic Name: 2-[3-(2-morpholin-4-ium-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[3-(2-morpholin-4-ium-4-ylethoxy)phenyl]thiazole-4-carboxylate CAS Name: 2-[3-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]-4-thiazolecarboxylate IUPAC Name: 2-[3-(2-morpholin-4-ium-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[3-(2-morpholin-4-ium-4-ylethoxy)phenyl]thiazole-4-carboxylate Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S/c19-16(20)14-11-23-15(17-14)12-2-1-3-13(10-12)22-9-6-18-4-7-21-8-5-18/h1-3,10-11H,4-9H2,(H,19,20)