3-(2,3-dimethoxyphenyl)-5-[6-(4-propan-2-ylpiperazin-4-ium-1-yl)pyridin-3-yl]-1,2,4-oxadiazole

Systemtic Name: 3-(2,3-dimethoxyphenyl)-5-[6-(4-propan-2-ylpiperazin-4-ium-1-yl)pyridin-3-yl]-1,2,4-oxadiazole Openeye Name: 3-(2,3-dimethoxyphenyl)-5-[6-(4-isopropylpiperazin-4-ium-1-yl)-3-pyridyl]-1,2,4-oxadiazole CAS Name: 3-(2,3-dimethoxyphenyl)-5-[6-(4-propan-2-yl-1-piperazin-4-iumyl)-3-pyridinyl]-1,2,4-oxadiazole IUPAC Name: 3-(2,3-dimethoxyphenyl)-5-[6-(4-propan-2-ylpiperazin-4-ium-1-yl)pyridin-3-yl]-1,2,4-oxadiazole Traditional Name: 3-(2,3-dimethoxyphenyl)-5-[6-(4-isopropylpiperazin-4-ium-1-yl)-3-pyridyl]-1,2,4-oxadiazole Formula: C22H28N5O3+ MolecularWeight: 410.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1)C2=NC=C(C=C2)C3=NC(=NO3)C4=C(C(=CC=C4)OC)OC

Isomeric SMILES

CC(C)[NH+]1CCN(CC1)C2=NC=C(C=C2)C3=NC(=NO3)C4=C(C(=CC=C4)OC)OC

InChI

InChI=1S/C22H27N5O3/c1-15(2)26-10-12-27(13-11-26)19-9-8-16(14-23-19)22-24-21(25-30-22)17-6-5-7-18(28-3)20(17)29-4/h5-9,14-15H,10-13H2,1-4H3/p+1