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

Systemtic Name: 2-[5-chloranyl-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[5-chloro-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[5-chloro-2-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[5-chloro-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[5-chloro-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]-4-methyl-thiazole-5-carboxylate Formula: C17H19ClN2O4S MolecularWeight: 382.86176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=C(C=CC(=C2)Cl)OCC[NH+]3CCOCC3)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C2=C(C=CC(=C2)Cl)OCC[NH+]3CCOCC3)C(=O)[O-]

InChI

InChI=1S/C17H19ClN2O4S/c1-11-15(17(21)22)25-16(19-11)13-10-12(18)2-3-14(13)24-9-6-20-4-7-23-8-5-20/h2-3,10H,4-9H2,1H3,(H,21,22)