6-cyclopropyl-2-[4-[[(2R)-2-(3-methoxyphenyl)azetidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-cyclopropyl-2-[4-[[(2R)-2-(3-methoxyphenyl)azetidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-cyclopropyl-2-[4-[[(2R)-2-(3-methoxyphenyl)azetidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-cyclopropyl-2-[4-[[(2R)-2-(3-methoxyphenyl)-1-azetidin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-cyclopropyl-2-[4-[[(2R)-2-(3-methoxyphenyl)azetidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-cyclopropyl-2-[4-[[(2R)-2-(3-methoxyphenyl)azetidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C24H26N3O2+ MolecularWeight: 388.48214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CC[NH+]2CC3=CC=C(C=C3)C4=NC(=O)C=C(N4)C5CC5

Isomeric SMILES

COC1=CC=CC(=C1)[C@H]2CC[NH+]2CC3=CC=C(C=C3)C4=NC(=O)C=C(N4)C5CC5

InChI

InChI=1S/C24H25N3O2/c1-29-20-4-2-3-19(13-20)22-11-12-27(22)15-16-5-7-18(8-6-16)24-25-21(17-9-10-17)14-23(28)26-24/h2-8,13-14,17,22H,9-12,15H2,1H3,(H,25,26,28)/p+1/t22-/m1/s1