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

Systemtic Name: 1-[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(2-benzylsulfanylethylamino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(2-benzylsulfanylethylamino)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[2-(benzylthio)ethylamino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=O)NCCSCC2=CC=CC=C2

InChI

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