1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-azoniabicyclo[2.2.2]octan-3-one

Systemtic Name: 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-azoniabicyclo[2.2.2]octan-3-one Openeye Name: 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinuclidin-1-ium-3-one CAS Name: 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-azoniabicyclo[2.2.2]octan-3-one IUPAC Name: 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-azoniabicyclo[2.2.2]octan-3-one Traditional Name: 1-(4,6-dimethoxy-s-triazin-2-yl)quinuclidin-1-ium-3-one Formula: C12H17N4O3+ MolecularWeight: 265.28838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=N1)[N+]23CCC(CC2)C(=O)C3)OC

Isomeric SMILES

COC1=NC(=NC(=N1)[N+]23CCC(CC2)C(=O)C3)OC

InChI

InChI=1S/C12H17N4O3/c1-18-11-13-10(14-12(15-11)19-2)16-5-3-8(4-6-16)9(17)7-16/h8H,3-7H2,1-2H3/q+1