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

Systemtic Name: 2-[5-chloranyl-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]thiazole-4-carboxylate CAS Name: 2-[5-chloro-2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-4-thiazolecarboxylate IUPAC Name: 2-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]thiazole-4-carboxylate Formula: C17H19ClN2O3S MolecularWeight: 366.86236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O3S/c18-12-4-5-15(23-9-8-20-6-2-1-3-7-20)13(10-12)16-19-14(11-24-16)17(21)22/h4-5,10-11H,1-3,6-9H2,(H,21,22)