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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC(=NC(=N1)[N+]23CCC(CC2)C(=O)C3)OCCC

Isomeric SMILES

CCCOC1=NC(=NC(=N1)[N+]23CCC(CC2)C(=O)C3)OCCC

InChI

InChI=1S/C16H25N4O3/c1-3-9-22-15-17-14(18-16(19-15)23-10-4-2)20-7-5-12(6-8-20)13(21)11-20/h12H,3-11H2,1-2H3/q+1