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

Systemtic Name: 1-(4,6-dibutoxy-1,3,5-triazin-2-yl)-1-azoniabicyclo[2.2.2]octane Openeye Name: 1-(4,6-dibutoxy-1,3,5-triazin-2-yl)quinuclidin-1-ium CAS Name: 1-(4,6-dibutoxy-1,3,5-triazin-2-yl)-1-azoniabicyclo[2.2.2]octane IUPAC Name: 1-(4,6-dibutoxy-1,3,5-triazin-2-yl)-1-azoniabicyclo[2.2.2]octane Traditional Name: 1-(4,6-dibutoxy-s-triazin-2-yl)quinuclidin-1-ium Formula: C18H31N4O2+ MolecularWeight: 335.46434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC(=NC(=N1)[N+]23CCC(CC2)CC3)OCCCC

Isomeric SMILES

CCCCOC1=NC(=NC(=N1)[N+]23CCC(CC2)CC3)OCCCC

InChI

InChI=1S/C18H31N4O2/c1-3-5-13-23-17-19-16(20-18(21-17)24-14-6-4-2)22-10-7-15(8-11-22)9-12-22/h15H,3-14H2,1-2H3/q+1