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

Systemtic Name: 1-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-yl]-1,4-diazepan-5-one Openeye Name: 1-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-yl]-1,4-diazepan-5-one CAS Name: 1-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-1-iumyl]-1,4-diazepan-5-one IUPAC Name: 1-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-yl]-1,4-diazepan-5-one Traditional Name: 1-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-yl]-1,4-diazepan-5-one Formula: C19H20N5O3+ MolecularWeight: 366.3938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCNC1=O)C2=[NH+]C=C(C=C2)C3=NC(=NO3)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CCNC1=O)C2=[NH+]C=C(C=C2)C3=NC(=NO3)COC4=CC=CC=C4

InChI

InChI=1S/C19H19N5O3/c25-18-8-10-24(11-9-20-18)17-7-6-14(12-21-17)19-22-16(23-27-19)13-26-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,20,25)/p+1