1-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[2-(phenylthio)ethylamino]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[2-(phenylthio)ethylamino]ethyl]piperidin-1-ium-4-carboxamide Formula: C16H24N3O2S+ MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC(=O)NCCSC2=CC=CC=C2

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=O)NCCSC2=CC=CC=C2

InChI

InChI=1S/C16H23N3O2S/c17-16(21)13-6-9-19(10-7-13)12-15(20)18-8-11-22-14-4-2-1-3-5-14/h1-5,13H,6-12H2,(H2,17,21)(H,18,20)/p+1