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

Systemtic Name: 5-[[(3S)-3-phenylmethoxypiperidin-1-ium-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole Openeye Name: 5-[[(3S)-3-benzyloxypiperidin-1-ium-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole CAS Name: 5-[[(3S)-3-phenylmethoxy-1-piperidin-1-iumyl]methyl]-3-(2-pyrazinyl)-1,2,4-oxadiazole IUPAC Name: 5-[[(3S)-3-phenylmethoxypiperidin-1-ium-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[(3S)-3-benzoxypiperidin-1-ium-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole Formula: C19H22N5O2+ MolecularWeight: 352.41028

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC(=NO2)C3=NC=CN=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC(=NO2)C3=NC=CN=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C19H21N5O2/c1-2-5-15(6-3-1)14-25-16-7-4-10-24(12-16)13-18-22-19(23-26-18)17-11-20-8-9-21-17/h1-3,5-6,8-9,11,16H,4,7,10,12-14H2/p+1/t16-/m0/s1