2-piperidin-1-ium-1-ylethyl 3-chloranyl-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 3-chloranyl-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: 2-piperidin-1-ium-1-ylethyl 3-chloro-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-4-fluoro-1-benzothiophene-2-carboxylic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl 3-chloro-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-4-fluoro-benzothiophene-2-carboxylic acid 2-piperidin-1-ium-1-ylethyl ester Formula: C16H18ClFNO2S+ MolecularWeight: 342.836023

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC(=O)C2=C(C3=C(C=CC=C3S2)F)Cl

Isomeric SMILES

C1CC[NH+](CC1)CCOC(=O)C2=C(C3=C(C=CC=C3S2)F)Cl

InChI

InChI=1S/C16H17ClFNO2S/c17-14-13-11(18)5-4-6-12(13)22-15(14)16(20)21-10-9-19-7-2-1-3-8-19/h4-6H,1-3,7-10H2/p+1