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

Systemtic Name: (3R)-1-[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-(2-benzylsulfanylethylamino)-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-(2-benzylsulfanylethylamino)-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-[2-(benzylthio)ethylamino]-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NCCSCC2=CC=CC=C2)C(=O)N

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC(=O)NCCSCC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C17H25N3O2S/c18-17(22)15-7-4-9-20(11-15)12-16(21)19-8-10-23-13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H2,18,22)(H,19,21)/p+1/t15-/m1/s1