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

Systemtic Name: 3-(phenoxymethyl)-5-[6-(4-propan-2-ylpiperazin-4-ium-1-yl)pyridin-3-yl]-1,2,4-oxadiazole Openeye Name: 5-[6-(4-isopropylpiperazin-4-ium-1-yl)-3-pyridyl]-3-(phenoxymethyl)-1,2,4-oxadiazole CAS Name: 3-(phenoxymethyl)-5-[6-(4-propan-2-yl-1-piperazin-4-iumyl)-3-pyridinyl]-1,2,4-oxadiazole IUPAC Name: 3-(phenoxymethyl)-5-[6-(4-propan-2-ylpiperazin-4-ium-1-yl)pyridin-3-yl]-1,2,4-oxadiazole Traditional Name: 5-[6-(4-isopropylpiperazin-4-ium-1-yl)-3-pyridyl]-3-(phenoxymethyl)-1,2,4-oxadiazole Formula: C21H26N5O2+ MolecularWeight: 380.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1)C2=NC=C(C=C2)C3=NC(=NO3)COC4=CC=CC=C4

Isomeric SMILES

CC(C)[NH+]1CCN(CC1)C2=NC=C(C=C2)C3=NC(=NO3)COC4=CC=CC=C4

InChI

InChI=1S/C21H25N5O2/c1-16(2)25-10-12-26(13-11-25)20-9-8-17(14-22-20)21-23-19(24-28-21)15-27-18-6-4-3-5-7-18/h3-9,14,16H,10-13,15H2,1-2H3/p+1