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

Systemtic Name: 1-(4,6-diphenoxy-1,3,5-triazin-2-yl)-1-azoniabicyclo[2.2.2]octan-3-one Openeye Name: 1-(4,6-diphenoxy-1,3,5-triazin-2-yl)quinuclidin-1-ium-3-one CAS Name: 1-(4,6-diphenoxy-1,3,5-triazin-2-yl)-1-azoniabicyclo[2.2.2]octan-3-one IUPAC Name: 1-(4,6-diphenoxy-1,3,5-triazin-2-yl)-1-azoniabicyclo[2.2.2]octan-3-one Traditional Name: 1-(4,6-diphenoxy-s-triazin-2-yl)quinuclidin-1-ium-3-one Formula: C22H21N4O3+ MolecularWeight: 389.42714

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(=O)C2)C3=NC(=NC(=N3)OC4=CC=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1C(=O)C2)C3=NC(=NC(=N3)OC4=CC=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C22H21N4O3/c27-19-15-26(13-11-16(19)12-14-26)20-23-21(28-17-7-3-1-4-8-17)25-22(24-20)29-18-9-5-2-6-10-18/h1-10,16H,11-15H2/q+1