2-[2-[(3-morpholin-4-ylazetidin-1-ium-1-yl)methyl]phenyl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one

Systemtic Name: 2-[2-[(3-morpholin-4-ylazetidin-1-ium-1-yl)methyl]phenyl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one Openeye Name: 2-[2-[(3-morpholinoazetidin-1-ium-1-yl)methyl]phenyl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one CAS Name: 2-[2-[[3-(4-morpholinyl)-1-azetidin-1-iumyl]methyl]phenyl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one IUPAC Name: 2-[2-[(3-morpholin-4-ylazetidin-1-ium-1-yl)methyl]phenyl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one Traditional Name: 2-[2-[(3-morpholinoazetidin-1-ium-1-yl)methyl]phenyl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)N=C(N2)C3=CC=CC=C3C[NH+]4CC(C4)N5CCOCC5

Isomeric SMILES

C1CCC2=C(C1)C(=O)N=C(N2)C3=CC=CC=C3C[NH+]4CC(C4)N5CCOCC5

InChI

InChI=1S/C22H28N4O2/c27-22-19-7-3-4-8-20(19)23-21(24-22)18-6-2-1-5-16(18)13-25-14-17(15-25)26-9-11-28-12-10-26/h1-2,5-6,17H,3-4,7-15H2,(H,23,24,27)/p+1