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

Systemtic Name: (3R)-3-[[3-(3-methylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-yl-piperazin-4-ium-2-one Openeye Name: (3R)-4-isopropyl-3-[[3-(3-methyl-2-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-2-one CAS Name: (3R)-3-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-yl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[[3-(3-methylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylpiperazin-4-ium-2-one Traditional Name: (3R)-4-isopropyl-3-[[3-(3-methyl-2-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-2-one Formula: C16H22N5O2+ MolecularWeight: 316.37818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C2=NOC(=N2)CC3C(=O)NCC[NH+]3C(C)C

Isomeric SMILES

CC1=C(N=CC=C1)C2=NOC(=N2)C[C@@H]3C(=O)NCC[NH+]3C(C)C

InChI

InChI=1S/C16H21N5O2/c1-10(2)21-8-7-18-16(22)12(21)9-13-19-15(20-23-13)14-11(3)5-4-6-17-14/h4-6,10,12H,7-9H2,1-3H3,(H,18,22)/p+1/t12-/m1/s1