(3S)-1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C16H21N4O3+ MolecularWeight: 317.36294

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC(=NO2)COC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC(=NO2)COC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C16H20N4O3/c17-16(21)12-5-4-8-20(9-12)10-15-18-14(19-23-15)11-22-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H2,17,21)/p+1/t12-/m0/s1