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

Systemtic Name: 4-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-yl]piperazin-2-one Openeye Name: 4-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-yl]piperazin-2-one CAS Name: 4-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-1-iumyl]-2-piperazinone IUPAC Name: 4-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-yl]piperazin-2-one Traditional Name: 4-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-yl]piperazin-2-one Formula: C18H18N5O3+ MolecularWeight: 352.36722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=[NH+]C=C(C=C2)C3=NC(=NO3)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(=O)N1)C2=[NH+]C=C(C=C2)C3=NC(=NO3)COC4=CC=CC=C4

InChI

InChI=1S/C18H17N5O3/c24-17-11-23(9-8-19-17)16-7-6-13(10-20-16)18-21-15(22-26-18)12-25-14-4-2-1-3-5-14/h1-7,10H,8-9,11-12H2,(H,19,24)/p+1