3-methyl-1-[(3S)-1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-3-yl]butan-1-one

Systemtic Name: 3-methyl-1-[(3S)-1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-3-yl]butan-1-one Openeye Name: 3-methyl-1-[(3S)-1-[[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-3-yl]butan-1-one CAS Name: 3-methyl-1-[(3S)-1-[[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-piperidin-1-iumyl]-1-butanone IUPAC Name: 3-methyl-1-[(3S)-1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-3-yl]butan-1-one Traditional Name: 3-methyl-1-[(3S)-1-[[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-3-yl]butan-1-one Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1CCC[NH+](C1)CC2=NC(=NO2)C3=CC=CC=N3

Isomeric SMILES

CC(C)CC(=O)[C@H]1CCC[NH+](C1)CC2=NC(=NO2)C3=CC=CC=N3

InChI

InChI=1S/C18H24N4O2/c1-13(2)10-16(23)14-6-5-9-22(11-14)12-17-20-18(21-24-17)15-7-3-4-8-19-15/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3/p+1/t14-/m0/s1