(1-methylpiperidin-1-ium-4-yl) 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (1-methylpiperidin-1-ium-4-yl) 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: (1-methylpiperidin-1-ium-4-yl) 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid (1-methyl-4-piperidin-1-iumyl) ester IUPAC Name: (1-methylpiperidin-1-ium-4-yl) 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (1-methylpiperidin-1-ium-4-yl) ester Formula: C15H17ClNO2S+ MolecularWeight: 310.81898

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)OC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C[NH+]1CCC(CC1)OC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C15H16ClNO2S/c1-17-8-6-10(7-9-17)19-15(18)14-13(16)11-4-2-3-5-12(11)20-14/h2-5,10H,6-9H2,1H3/p+1