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

Systemtic Name: 6-methyl-2-[3-[(3-pyrazol-1-ylazetidin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-[3-[(3-pyrazol-1-ylazetidin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[3-[[3-(1-pyrazolyl)-1-azetidin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[3-[(3-pyrazol-1-ylazetidin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-methyl-2-[3-[(3-pyrazol-1-ylazetidin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Formula: C18H20N5O+ MolecularWeight: 322.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)C2=CC(=CC=C2)C[NH+]3CC(C3)N4C=CC=N4

Isomeric SMILES

CC1=CC(=O)N=C(N1)C2=CC(=CC=C2)C[NH+]3CC(C3)N4C=CC=N4

InChI

InChI=1S/C18H19N5O/c1-13-8-17(24)21-18(20-13)15-5-2-4-14(9-15)10-22-11-16(12-22)23-7-3-6-19-23/h2-9,16H,10-12H2,1H3,(H,20,21,24)/p+1