2-[4-(1-aza-4-azoniabicyclo[3.2.2]nonan-4-ylmethyl)phenyl]-6-pyridin-2-yl-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(1-aza-4-azoniabicyclo[3.2.2]nonan-4-ylmethyl)phenyl]-6-pyridin-2-yl-1H-pyrimidin-4-one Openeye Name: 2-[4-(1-aza-4-azoniabicyclo[3.2.2]nonan-4-ylmethyl)phenyl]-6-(2-pyridyl)-1H-pyrimidin-4-one CAS Name: 2-[4-(1-aza-4-azoniabicyclo[3.2.2]nonan-4-ylmethyl)phenyl]-6-(2-pyridinyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-(1-aza-4-azoniabicyclo[3.2.2]nonan-4-ylmethyl)phenyl]-6-pyridin-2-yl-1H-pyrimidin-4-one Traditional Name: 2-[4-(1-aza-4-azoniabicyclo[3.2.2]nonan-4-ylmethyl)phenyl]-6-(2-pyridyl)-1H-pyrimidin-4-one Formula: C23H26N5O+ MolecularWeight: 388.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1[NH+](CC2)CC3=CC=C(C=C3)C4=NC(=O)C=C(N4)C5=CC=CC=N5

Isomeric SMILES

C1CN2CCC1[NH+](CC2)CC3=CC=C(C=C3)C4=NC(=O)C=C(N4)C5=CC=CC=N5

InChI

InChI=1S/C23H25N5O/c29-22-15-21(20-3-1-2-10-24-20)25-23(26-22)18-6-4-17(5-7-18)16-28-14-13-27-11-8-19(28)9-12-27/h1-7,10,15,19H,8-9,11-14,16H2,(H,25,26,29)/p+1