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

Systemtic Name: [(3S)-1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-3-yl]-thiophen-2-yl-methanone Openeye Name: [(3S)-1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-3-yl]-(2-thienyl)methanone CAS Name: [(3S)-1-[[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-piperidin-1-iumyl]-thiophen-2-ylmethanone IUPAC Name: [(3S)-1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-3-yl]-thiophen-2-ylmethanone Traditional Name: [(3S)-1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-3-yl]-(2-thienyl)methanone Formula: C17H18N5O2S+ MolecularWeight: 356.42212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC(=NO2)C3=NC=CN=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC(=NO2)C3=NC=CN=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C17H17N5O2S/c23-16(14-4-2-8-25-14)12-3-1-7-22(10-12)11-15-20-17(21-24-15)13-9-18-5-6-19-13/h2,4-6,8-9,12H,1,3,7,10-11H2/p+1/t12-/m0/s1