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

Systemtic Name: 1-[4,6-di(propan-2-yloxy)-1,3,5-triazin-2-yl]-1-azoniabicyclo[2.2.2]octan-3-one Openeye Name: 1-(4,6-diisopropoxy-1,3,5-triazin-2-yl)quinuclidin-1-ium-3-one CAS Name: 1-[4,6-di(propan-2-yloxy)-1,3,5-triazin-2-yl]-1-azoniabicyclo[2.2.2]octan-3-one IUPAC Name: 1-[4,6-di(propan-2-yloxy)-1,3,5-triazin-2-yl]-1-azoniabicyclo[2.2.2]octan-3-one Traditional Name: 1-(4,6-diisopropoxy-s-triazin-2-yl)quinuclidin-1-ium-3-one Formula: C16H25N4O3+ MolecularWeight: 321.3947

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NC(=NC(=N1)[N+]23CCC(CC2)C(=O)C3)OC(C)C

Isomeric SMILES

CC(C)OC1=NC(=NC(=N1)[N+]23CCC(CC2)C(=O)C3)OC(C)C

InChI

InChI=1S/C16H25N4O3/c1-10(2)22-15-17-14(18-16(19-15)23-11(3)4)20-7-5-12(6-8-20)13(21)9-20/h10-12H,5-9H2,1-4H3/q+1