2-[3-(8-azoniaspiro[4.4]nonan-8-ylmethyl)phenyl]-5,6-dimethyl-1H-pyrimidin-4-one

Systemtic Name: 2-[3-(8-azoniaspiro[4.4]nonan-8-ylmethyl)phenyl]-5,6-dimethyl-1H-pyrimidin-4-one Openeye Name: 2-[3-(8-azoniaspiro[4.4]nonan-8-ylmethyl)phenyl]-5,6-dimethyl-1H-pyrimidin-4-one CAS Name: 2-[3-(8-azoniaspiro[4.4]nonan-8-ylmethyl)phenyl]-5,6-dimethyl-1H-pyrimidin-4-one IUPAC Name: 2-[3-(8-azoniaspiro[4.4]nonan-8-ylmethyl)phenyl]-5,6-dimethyl-1H-pyrimidin-4-one Traditional Name: 2-[3-(8-azoniaspiro[4.4]nonan-8-ylmethyl)phenyl]-5,6-dimethyl-1H-pyrimidin-4-one Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)C2=CC(=CC=C2)C[NH+]3CCC4(C3)CCCC4)C

Isomeric SMILES

CC1=C(NC(=NC1=O)C2=CC(=CC=C2)C[NH+]3CCC4(C3)CCCC4)C

InChI

InChI=1S/C21H27N3O/c1-15-16(2)22-19(23-20(15)25)18-7-5-6-17(12-18)13-24-11-10-21(14-24)8-3-4-9-21/h5-7,12H,3-4,8-11,13-14H2,1-2H3,(H,22,23,25)/p+1