1-[3-[(2-methylsulfanylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[3-[(2-methylsulfanylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[3-(2-methylsulfanylanilino)-3-oxo-propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[3-[2-(methylthio)anilino]-3-oxopropyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[3-(2-methylsulfanylanilino)-3-oxopropyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[3-keto-3-[2-(methylthio)anilino]propyl]piperidin-1-ium-4-carboxamide Formula: C16H24N3O2S+ MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CC[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CC[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C16H23N3O2S/c1-22-14-5-3-2-4-13(14)18-15(20)8-11-19-9-6-12(7-10-19)16(17)21/h2-5,12H,6-11H2,1H3,(H2,17,21)(H,18,20)/p+1