1-[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[3-(phenylthio)propylamino]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[3-(phenylthio)propylamino]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)NCCCSC2=CC=CC=C2

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=O)NCCCSC2=CC=CC=C2

InChI

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