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

Systemtic Name: 1-(4,6-diphenoxy-1,3,5-triazin-2-yl)-1-azoniabicyclo[2.2.2]octan-3-ol Openeye Name: 1-(4,6-diphenoxy-1,3,5-triazin-2-yl)quinuclidin-1-ium-3-ol CAS Name: 1-(4,6-diphenoxy-1,3,5-triazin-2-yl)-1-azoniabicyclo[2.2.2]octan-3-ol IUPAC Name: 1-(4,6-diphenoxy-1,3,5-triazin-2-yl)-1-azoniabicyclo[2.2.2]octan-3-ol Traditional Name: 1-(4,6-diphenoxy-s-triazin-2-yl)quinuclidin-1-ium-3-ol Formula: C22H23N4O3+ MolecularWeight: 391.44302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N4O3/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/h1-10,16,19,27H,11-15H2/q+1