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

Systemtic Name: 2-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]thiazole-4-carboxylate CAS Name: 2-[3-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-4-thiazolecarboxylate IUPAC Name: 2-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]thiazole-4-carboxylate Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O3S/c20-17(21)15-12-23-16(18-15)13-5-4-6-14(11-13)22-10-9-19-7-2-1-3-8-19/h4-6,11-12H,1-3,7-10H2,(H,20,21)