4-oxidanyl-3-(piperidin-1-ium-1-ylmethylsulfanyl)benzoate

Systemtic Name: 4-oxidanyl-3-(piperidin-1-ium-1-ylmethylsulfanyl)benzoate Openeye Name: 4-hydroxy-3-(piperidin-1-ium-1-ylmethylsulfanyl)benzoate CAS Name: 4-hydroxy-3-(1-piperidin-1-iumylmethylthio)benzoate IUPAC Name: 4-hydroxy-3-(piperidin-1-ium-1-ylmethylsulfanyl)benzoate Traditional Name: 4-hydroxy-3-(piperidin-1-ium-1-ylmethylthio)benzoate Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CSC2=C(C=CC(=C2)C(=O)[O-])O

Isomeric SMILES

C1CC[NH+](CC1)CSC2=C(C=CC(=C2)C(=O)[O-])O

InChI

InChI=1S/C13H17NO3S/c15-11-5-4-10(13(16)17)8-12(11)18-9-14-6-2-1-3-7-14/h4-5,8,15H,1-3,6-7,9H2,(H,16,17)