2-[3-(1-aza-4-azoniabicyclo[3.2.2]nonan-4-ylmethyl)phenyl]-6-tert-butyl-1H-pyrimidin-4-one

Systemtic Name: 2-[3-(1-aza-4-azoniabicyclo[3.2.2]nonan-4-ylmethyl)phenyl]-6-tert-butyl-1H-pyrimidin-4-one Openeye Name: 2-[3-(1-aza-4-azoniabicyclo[3.2.2]nonan-4-ylmethyl)phenyl]-6-tert-butyl-1H-pyrimidin-4-one CAS Name: 2-[3-(1-aza-4-azoniabicyclo[3.2.2]nonan-4-ylmethyl)phenyl]-6-tert-butyl-1H-pyrimidin-4-one IUPAC Name: 2-[3-(1-aza-4-azoniabicyclo[3.2.2]nonan-4-ylmethyl)phenyl]-6-tert-butyl-1H-pyrimidin-4-one Traditional Name: 2-[3-(1-aza-4-azoniabicyclo[3.2.2]nonan-4-ylmethyl)phenyl]-6-tert-butyl-1H-pyrimidin-4-one Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N=C(N1)C2=CC(=CC=C2)C[NH+]3CCN4CCC3CC4

Isomeric SMILES

CC(C)(C)C1=CC(=O)N=C(N1)C2=CC(=CC=C2)C[NH+]3CCN4CCC3CC4

InChI

InChI=1S/C22H30N4O/c1-22(2,3)19-14-20(27)24-21(23-19)17-6-4-5-16(13-17)15-26-12-11-25-9-7-18(26)8-10-25/h4-6,13-14,18H,7-12,15H2,1-3H3,(H,23,24,27)/p+1