3-pyrazin-2-yl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-pyrazin-2-yl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-pyrazin-2-yl-5-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(2-pyrazinyl)-5-[[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-pyrazin-2-yl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-pyrazin-2-yl-5-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C17H19N6O+ MolecularWeight: 323.37236

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=CN=CC=C2)CC3=NC(=NO3)C4=NC=CN=C4

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C2=CN=CC=C2)CC3=NC(=NO3)C4=NC=CN=C4

InChI

InChI=1S/C17H18N6O/c1-2-9-23(15(5-1)13-4-3-6-18-10-13)12-16-21-17(22-24-16)14-11-19-7-8-20-14/h3-4,6-8,10-11,15H,1-2,5,9,12H2/p+1/t15-/m0/s1