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

Systemtic Name: 3-(phenoxymethyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-(phenoxymethyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-(phenoxymethyl)-5-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(phenoxymethyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-(phenoxymethyl)-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:

C1CN(CCN1CC2=NC(=NO2)COC3=CC=CC=C3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1CC2=NC(=NO2)COC3=CC=CC=C3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H21N5O2/c1-2-6-16(7-3-1)25-15-17-21-19(26-22-17)14-23-10-12-24(13-11-23)18-8-4-5-9-20-18/h1-9H,10-15H2/p+1