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

Systemtic Name: 2-[2-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]thiazol-4-yl]acetate CAS Name: 2-[2-[4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[4-(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=C(C=C2)C3=NC(=CS3)CC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S/c21-17(22)12-15-13-24-18(19-15)14-4-6-16(7-5-14)23-11-10-20-8-2-1-3-9-20/h4-7,13H,1-3,8-12H2,(H,21,22)