4-[2-(diethylazaniumyl)ethylsulfanyl]benzoate

Systemtic Name: 4-[2-(diethylazaniumyl)ethylsulfanyl]benzoate Openeye Name: 4-[2-(diethylammonio)ethylsulfanyl]benzoate CAS Name: 4-[2-(diethylammonio)ethylthio]benzoate IUPAC Name: 4-[2-(diethylazaniumyl)ethylsulfanyl]benzoate Traditional Name: 4-[2-(diethylammonio)ethylthio]benzoate Formula: C13H19NO2S MolecularWeight: 253.36046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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