6-(methoxymethyl)-2-[4-[[(2S)-2-phenylazetidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-(methoxymethyl)-2-[4-[[(2S)-2-phenylazetidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(methoxymethyl)-2-[4-[[(2S)-2-phenylazetidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-(methoxymethyl)-2-[4-[[(2S)-2-phenyl-1-azetidin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(methoxymethyl)-2-[4-[[(2S)-2-phenylazetidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(methoxymethyl)-2-[4-[[(2S)-2-phenylazetidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C22H24N3O2+ MolecularWeight: 362.44486

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCC3C4=CC=CC=C4

Isomeric SMILES

COCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CC[C@H]3C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2/c1-27-15-19-13-21(26)24-22(23-19)18-9-7-16(8-10-18)14-25-12-11-20(25)17-5-3-2-4-6-17/h2-10,13,20H,11-12,14-15H2,1H3,(H,23,24,26)/p+1/t20-/m0/s1