4-[[(4-methylsulfanylphenyl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(4-methylsulfanylphenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(4-methylsulfanylphenyl)methylammonio]methyl]benzoate CAS Name: 4-[[[4-(methylthio)phenyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[(4-methylsulfanylphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[4-(methylthio)benzyl]ammonio]methyl]benzoate Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C16H17NO2S/c1-20-15-8-4-13(5-9-15)11-17-10-12-2-6-14(7-3-12)16(18)19/h2-9,17H,10-11H2,1H3,(H,18,19)