1-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[3-(methylthio)anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(3-methylsulfanylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[3-(methylthio)anilino]ethyl]piperidin-1-ium-4-carboxylate Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C15H20N2O3S/c1-21-13-4-2-3-12(9-13)16-14(18)10-17-7-5-11(6-8-17)15(19)20/h2-4,9,11H,5-8,10H2,1H3,(H,16,18)(H,19,20)