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

Systemtic Name: 1-(4,6-diphenoxy-1,3,5-triazin-2-yl)-1-azoniabicyclo[2.2.2]octane Openeye Name: 1-(4,6-diphenoxy-1,3,5-triazin-2-yl)quinuclidin-1-ium CAS Name: 1-(4,6-diphenoxy-1,3,5-triazin-2-yl)-1-azoniabicyclo[2.2.2]octane IUPAC Name: 1-(4,6-diphenoxy-1,3,5-triazin-2-yl)-1-azoniabicyclo[2.2.2]octane Traditional Name: 1-(4,6-diphenoxy-s-triazin-2-yl)quinuclidin-1-ium Formula: C22H23N4O2+ MolecularWeight: 375.44362

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2)C3=NC(=NC(=N3)OC4=CC=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1CC2)C3=NC(=NC(=N3)OC4=CC=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C22H23N4O2/c1-3-7-18(8-4-1)27-21-23-20(26-14-11-17(12-15-26)13-16-26)24-22(25-21)28-19-9-5-2-6-10-19/h1-10,17H,11-16H2/q+1