1-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[3-(methylthio)anilino]-2-oxoethyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[2-(3-methylsulfanylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[2-keto-2-[3-(methylthio)anilino]ethyl]piperidin-1-ium-4-carboxamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-28-20-9-5-8-19(14-20)24-21(26)16-25-12-10-18(11-13-25)22(27)23-15-17-6-3-2-4-7-17/h2-9,14,18H,10-13,15-16H2,1H3,(H,23,27)(H,24,26)/p+1