(3R)-1-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-oxo-2-[2-(phenylthio)ethylamino]ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-keto-2-[2-(phenylthio)ethylamino]ethyl]piperidin-1-ium-3-carboxamide Formula: C16H24N3O2S+ MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NCCSC2=CC=CC=C2)C(=O)N

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC(=O)NCCSC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C16H23N3O2S/c17-16(21)13-5-4-9-19(11-13)12-15(20)18-8-10-22-14-6-2-1-3-7-14/h1-3,6-7,13H,4-5,8-12H2,(H2,17,21)(H,18,20)/p+1/t13-/m1/s1