2-[4-[(3-morpholin-4-ylazetidin-1-ium-1-yl)methyl]phenyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[4-[(3-morpholin-4-ylazetidin-1-ium-1-yl)methyl]phenyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[4-[(3-morpholinoazetidin-1-ium-1-yl)methyl]phenyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[4-[[3-(4-morpholinyl)-1-azetidin-1-iumyl]methyl]phenyl]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-[(3-morpholin-4-ylazetidin-1-ium-1-yl)methyl]phenyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[4-[(3-morpholinoazetidin-1-ium-1-yl)methyl]phenyl]-6-propyl-1H-pyrimidin-4-one Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CC(C3)N4CCOCC4

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CC(C3)N4CCOCC4

InChI

InChI=1S/C21H28N4O2/c1-2-3-18-12-20(26)23-21(22-18)17-6-4-16(5-7-17)13-24-14-19(15-24)25-8-10-27-11-9-25/h4-7,12,19H,2-3,8-11,13-15H2,1H3,(H,22,23,26)/p+1