2-[4-(8-azoniaspiro[4.4]nonan-8-ylmethyl)phenyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(8-azoniaspiro[4.4]nonan-8-ylmethyl)phenyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[4-(8-azoniaspiro[4.4]nonan-8-ylmethyl)phenyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[4-(8-azoniaspiro[4.4]nonan-8-ylmethyl)phenyl]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-(8-azoniaspiro[4.4]nonan-8-ylmethyl)phenyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[4-(8-azoniaspiro[4.4]nonan-8-ylmethyl)phenyl]-6-propyl-1H-pyrimidin-4-one Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCC4(C3)CCCC4

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCC4(C3)CCCC4

InChI

InChI=1S/C22H29N3O/c1-2-5-19-14-20(26)24-21(23-19)18-8-6-17(7-9-18)15-25-13-12-22(16-25)10-3-4-11-22/h6-9,14H,2-5,10-13,15-16H2,1H3,(H,23,24,26)/p+1