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

Systemtic Name: 2-[4-[(3-piperidin-1-ylazetidin-1-ium-1-yl)methyl]phenyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[4-[[3-(1-piperidyl)azetidin-1-ium-1-yl]methyl]phenyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[4-[[3-(1-piperidinyl)-1-azetidin-1-iumyl]methyl]phenyl]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-[(3-piperidin-1-ylazetidin-1-ium-1-yl)methyl]phenyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[4-[(3-piperidinoazetidin-1-ium-1-yl)methyl]phenyl]-6-propyl-1H-pyrimidin-4-one Formula: C22H31N4O+ MolecularWeight: 367.50774

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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)N4CCCCC4

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CC(C3)N4CCCCC4

InChI

InChI=1S/C22H30N4O/c1-2-6-19-13-21(27)24-22(23-19)18-9-7-17(8-10-18)14-25-15-20(16-25)26-11-4-3-5-12-26/h7-10,13,20H,2-6,11-12,14-16H2,1H3,(H,23,24,27)/p+1