2-[2-(diethylazaniumyl)ethylsulfanyl]benzoate

Systemtic Name: 2-[2-(diethylazaniumyl)ethylsulfanyl]benzoate Openeye Name: 2-[2-(diethylammonio)ethylsulfanyl]benzoate CAS Name: 2-[2-(diethylammonio)ethylthio]benzoate IUPAC Name: 2-[2-(diethylazaniumyl)ethylsulfanyl]benzoate Traditional Name: 2-[2-(diethylammonio)ethylthio]benzoate Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCSC1=CC=CC=C1C(=O)[O-]

InChI

InChI=1S/C13H19NO2S/c1-3-14(4-2)9-10-17-12-8-6-5-7-11(12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)