(3R)-4-propan-2-yl-3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-4-propan-2-yl-3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-isopropyl-3-[[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-2-one CAS Name: (3R)-4-propan-2-yl-3-[[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-propan-2-yl-3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-isopropyl-3-[[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-2-one Formula: C15H20N5O2+ MolecularWeight: 302.3516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCNC(=O)C1CC2=NC(=NO2)C3=CN=CC=C3

Isomeric SMILES

CC(C)[NH+]1CCNC(=O)[C@H]1CC2=NC(=NO2)C3=CN=CC=C3

InChI

InChI=1S/C15H19N5O2/c1-10(2)20-7-6-17-15(21)12(20)8-13-18-14(19-22-13)11-4-3-5-16-9-11/h3-5,9-10,12H,6-8H2,1-2H3,(H,17,21)/p+1/t12-/m1/s1