phenyl-[(3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: phenyl-[(3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: phenyl-[(3S)-1-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-3-yl]methanone CAS Name: phenyl-[(3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: phenyl-[(3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: phenyl-[(3S)-1-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-3-yl]methanone Formula: C19H20N3O2S+ MolecularWeight: 354.446

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC(=NO2)C3=CC=CS3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC(=NO2)C3=CC=CS3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H19N3O2S/c23-18(14-6-2-1-3-7-14)15-8-4-10-22(12-15)13-17-20-19(21-24-17)16-9-5-11-25-16/h1-3,5-7,9,11,15H,4,8,10,12-13H2/p+1/t15-/m0/s1