1-methyl-4-[5-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-yl]piperazin-2-one

Systemtic Name: 1-methyl-4-[5-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-yl]piperazin-2-one Openeye Name: 4-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]-1-methyl-piperazin-2-one CAS Name: 1-methyl-4-[5-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-1-iumyl]-2-piperazinone IUPAC Name: 4-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]-1-methylpiperazin-2-one Traditional Name: 4-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]-1-methyl-piperazin-2-one Formula: C19H20N5O2+ MolecularWeight: 350.3944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1=O)C2=[NH+]C=C(C=C2)C3=NC(=NO3)CC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1=O)C2=[NH+]C=C(C=C2)C3=NC(=NO3)CC4=CC=CC=C4

InChI

InChI=1S/C19H19N5O2/c1-23-9-10-24(13-18(23)25)17-8-7-15(12-20-17)19-21-16(22-26-19)11-14-5-3-2-4-6-14/h2-8,12H,9-11,13H2,1H3/p+1