O-(2-piperidin-1-ium-1-ylethyl) 4-ethoxybenzenecarbothioate chloride

Systemtic Name: O-(2-piperidin-1-ium-1-ylethyl) 4-ethoxybenzenecarbothioate chloride Openeye Name: O-(2-piperidin-1-ium-1-ylethyl) 4-ethoxybenzenecarbothioate chloride CAS Name: 4-ethoxybenzenecarbothioic acid O-[2-(1-piperidin-1-iumyl)ethyl] ester chloride IUPAC Name: O-(2-piperidin-1-ium-1-ylethyl) 4-ethoxybenzenecarbothioate chloride Traditional Name: 4-ethoxythiobenzoic acid O-(2-piperidin-1-ium-1-ylethyl) ester chloride Formula: C16H24ClNO2S MolecularWeight: 329.88526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=S)OCC[NH+]2CCCCC2.[Cl-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=S)OCC[NH+]2CCCCC2.[Cl-]

InChI

InChI=1S/C16H23NO2S.ClH/c1-2-18-15-8-6-14(7-9-15)16(20)19-13-12-17-10-4-3-5-11-17;/h6-9H,2-5,10-13H2,1H3;1H