4-[2-(dimethylazaniumyl)ethylsulfanyl]benzoate

Systemtic Name: 4-[2-(dimethylazaniumyl)ethylsulfanyl]benzoate Openeye Name: 4-[2-(dimethylammonio)ethylsulfanyl]benzoate CAS Name: 4-[2-(dimethylammonio)ethylthio]benzoate IUPAC Name: 4-[2-(dimethylazaniumyl)ethylsulfanyl]benzoate Traditional Name: 4-[2-(dimethylammonio)ethylthio]benzoate Formula: C11H15NO2S MolecularWeight: 225.3073

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCSC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCSC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C11H15NO2S/c1-12(2)7-8-15-10-5-3-9(4-6-10)11(13)14/h3-6H,7-8H2,1-2H3,(H,13,14)