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

Systemtic Name: 3-(4-chlorophenyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-(4-chlorophenyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-(4-chlorophenyl)-5-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-chlorophenyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-(4-chlorophenyl)-5-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-1,2,4-oxadiazole Formula: C18H19ClN5O+ MolecularWeight: 356.82936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN5O/c19-15-6-4-14(5-7-15)18-21-17(25-22-18)13-23-9-11-24(12-10-23)16-3-1-2-8-20-16/h1-8H,9-13H2/p+1