(2R)-1-[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl]pyrrolidin-1-ium-2-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NCCCSC2=CC=CC=C2)C(=O)N

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC(=O)NCCCSC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C16H23N3O2S/c17-16(21)14-8-4-10-19(14)12-15(20)18-9-5-11-22-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H2,17,21)(H,18,20)/p+1/t14-/m1/s1