2-(2-piperidin-1-ium-1-ylethylsulfanyl)benzoate

Systemtic Name: 2-(2-piperidin-1-ium-1-ylethylsulfanyl)benzoate Openeye Name: 2-(2-piperidin-1-ium-1-ylethylsulfanyl)benzoate CAS Name: 2-[2-(1-piperidin-1-iumyl)ethylthio]benzoate IUPAC Name: 2-(2-piperidin-1-ium-1-ylethylsulfanyl)benzoate Traditional Name: 2-(2-piperidin-1-ium-1-ylethylthio)benzoate Formula: C14H19NO2S MolecularWeight: 265.37116

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C14H19NO2S/c16-14(17)12-6-2-3-7-13(12)18-11-10-15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-11H2,(H,16,17)