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

Systemtic Name: 1-(4,6-dibutoxy-1,3,5-triazin-2-yl)-1-azoniabicyclo[2.2.2]octan-3-one Openeye Name: 1-(4,6-dibutoxy-1,3,5-triazin-2-yl)quinuclidin-1-ium-3-one CAS Name: 1-(4,6-dibutoxy-1,3,5-triazin-2-yl)-1-azoniabicyclo[2.2.2]octan-3-one IUPAC Name: 1-(4,6-dibutoxy-1,3,5-triazin-2-yl)-1-azoniabicyclo[2.2.2]octan-3-one Traditional Name: 1-(4,6-dibutoxy-s-triazin-2-yl)quinuclidin-1-ium-3-one Formula: C18H29N4O3+ MolecularWeight: 349.44786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC(=NC(=N1)[N+]23CCC(CC2)C(=O)C3)OCCCC

Isomeric SMILES

CCCCOC1=NC(=NC(=N1)[N+]23CCC(CC2)C(=O)C3)OCCCC

InChI

InChI=1S/C18H29N4O3/c1-3-5-11-24-17-19-16(20-18(21-17)25-12-6-4-2)22-9-7-14(8-10-22)15(23)13-22/h14H,3-13H2,1-2H3/q+1