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

Systemtic Name: 1-(4,6-diethoxy-1,3,5-triazin-2-yl)-1-azoniabicyclo[2.2.2]octan-3-one Openeye Name: 1-(4,6-diethoxy-1,3,5-triazin-2-yl)quinuclidin-1-ium-3-one CAS Name: 1-(4,6-diethoxy-1,3,5-triazin-2-yl)-1-azoniabicyclo[2.2.2]octan-3-one IUPAC Name: 1-(4,6-diethoxy-1,3,5-triazin-2-yl)-1-azoniabicyclo[2.2.2]octan-3-one Traditional Name: 1-(4,6-diethoxy-s-triazin-2-yl)quinuclidin-1-ium-3-one Formula: C14H21N4O3+ MolecularWeight: 293.34154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=N1)[N+]23CCC(CC2)C(=O)C3)OCC

Isomeric SMILES

CCOC1=NC(=NC(=N1)[N+]23CCC(CC2)C(=O)C3)OCC

InChI

InChI=1S/C14H21N4O3/c1-3-20-13-15-12(16-14(17-13)21-4-2)18-7-5-10(6-8-18)11(19)9-18/h10H,3-9H2,1-2H3/q+1