2-[2-[5-chloranyl-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: 2-[2-[5-chloranyl-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]thiazol-4-yl]acetate CAS Name: 2-[2-[5-chloro-2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]thiazol-4-yl]acetate Formula: C18H21ClN2O3S MolecularWeight: 380.88894

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=C(C=C(C=C2)Cl)C3=NC(=CS3)CC(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=C(C=C(C=C2)Cl)C3=NC(=CS3)CC(=O)[O-]

InChI

InChI=1S/C18H21ClN2O3S/c19-13-4-5-16(24-9-8-21-6-2-1-3-7-21)15(10-13)18-20-14(12-25-18)11-17(22)23/h4-5,10,12H,1-3,6-9,11H2,(H,22,23)