3-(2-methylpiperidin-1-ium-1-yl)propyl 2-sulfanylbenzoate chloride

Systemtic Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 2-sulfanylbenzoate chloride Openeye Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 2-sulfanylbenzoate chloride CAS Name: 2-mercaptobenzoic acid 3-(2-methyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 2-sulfanylbenzoate chloride Traditional Name: 2-mercaptobenzoic acid 3-(2-methylpiperidin-1-ium-1-yl)propyl ester chloride Formula: C16H24ClNO2S MolecularWeight: 329.88526

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCOC(=O)C2=CC=CC=C2S.[Cl-]

Isomeric SMILES

CC1CCCC[NH+]1CCCOC(=O)C2=CC=CC=C2S.[Cl-]

InChI

InChI=1S/C16H23NO2S.ClH/c1-13-7-4-5-10-17(13)11-6-12-19-16(18)14-8-2-3-9-15(14)20;/h2-3,8-9,13,20H,4-7,10-12H2,1H3;1H