5-[(3S)-1-methylpiperidin-1-ium-3-yl]-3-(4-methylpyridin-3-yl)-1,2,4-oxadiazole

Systemtic Name: 5-[(3S)-1-methylpiperidin-1-ium-3-yl]-3-(4-methylpyridin-3-yl)-1,2,4-oxadiazole Openeye Name: 5-[(3S)-1-methylpiperidin-1-ium-3-yl]-3-(4-methyl-3-pyridyl)-1,2,4-oxadiazole CAS Name: 5-[(3S)-1-methyl-3-piperidin-1-iumyl]-3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazole IUPAC Name: 5-[(3S)-1-methylpiperidin-1-ium-3-yl]-3-(4-methylpyridin-3-yl)-1,2,4-oxadiazole Traditional Name: 5-[(3S)-1-methylpiperidin-1-ium-3-yl]-3-(4-methyl-3-pyridyl)-1,2,4-oxadiazole Formula: C14H19N4O+ MolecularWeight: 259.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NC=C1)C2=NOC(=N2)C3CCC[NH+](C3)C

Isomeric SMILES

CC1=C(C=NC=C1)C2=NOC(=N2)[C@H]3CCC[NH+](C3)C

InChI

InChI=1S/C14H18N4O/c1-10-5-6-15-8-12(10)13-16-14(19-17-13)11-4-3-7-18(2)9-11/h5-6,8,11H,3-4,7,9H2,1-2H3/p+1/t11-/m0/s1