3-(4-methoxyphenyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(4-methoxyphenyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-(4-methoxyphenyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-(4-methoxyphenyl)-5-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-methoxyphenyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-(4-methoxyphenyl)-5-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-1,2,4-oxadiazole Formula: C19H22N5O2+ MolecularWeight: 352.41028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H21N5O2/c1-25-16-7-5-15(6-8-16)19-21-18(26-22-19)14-23-10-12-24(13-11-23)17-4-2-3-9-20-17/h2-9H,10-14H2,1H3/p+1