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

Systemtic Name: 2-[2-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]thiazol-4-yl]acetate CAS Name: 2-[2-[2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]thiazol-4-yl]acetate Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=CC=CC=C2C3=NC(=CS3)CC(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=CC=CC=C2C3=NC(=CS3)CC(=O)[O-]

InChI

InChI=1S/C18H22N2O3S/c21-17(22)12-14-13-24-18(19-14)15-6-2-3-7-16(15)23-11-10-20-8-4-1-5-9-20/h2-3,6-7,13H,1,4-5,8-12H2,(H,21,22)