3-(2,3-dimethoxyphenyl)-5-(6-piperidin-1-ylpyridin-1-ium-3-yl)-1,2,4-oxadiazole

Systemtic Name: 3-(2,3-dimethoxyphenyl)-5-(6-piperidin-1-ylpyridin-1-ium-3-yl)-1,2,4-oxadiazole Openeye Name: 3-(2,3-dimethoxyphenyl)-5-[6-(1-piperidyl)pyridin-1-ium-3-yl]-1,2,4-oxadiazole CAS Name: 3-(2,3-dimethoxyphenyl)-5-[6-(1-piperidinyl)-3-pyridin-1-iumyl]-1,2,4-oxadiazole IUPAC Name: 3-(2,3-dimethoxyphenyl)-5-(6-piperidin-1-ylpyridin-1-ium-3-yl)-1,2,4-oxadiazole Traditional Name: 3-(2,3-dimethoxyphenyl)-5-(6-piperidinopyridin-1-ium-3-yl)-1,2,4-oxadiazole Formula: C20H23N4O3+ MolecularWeight: 367.42162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=NOC(=N2)C3=C[NH+]=C(C=C3)N4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=NOC(=N2)C3=C[NH+]=C(C=C3)N4CCCCC4

InChI

InChI=1S/C20H22N4O3/c1-25-16-8-6-7-15(18(16)26-2)19-22-20(27-23-19)14-9-10-17(21-13-14)24-11-4-3-5-12-24/h6-10,13H,3-5,11-12H2,1-2H3/p+1