6-[(2-methoxyphenyl)methyl]-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-[(2-methoxyphenyl)methyl]-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 6-[(2-methoxyphenyl)methyl]-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one CAS Name: 6-[(2-methoxyphenyl)methyl]-2-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-[(2-methoxyphenyl)methyl]-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 6-o-anisyl-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Formula: C23H26N3O2+ MolecularWeight: 376.47144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC2=CC(=O)N=C(N2)C3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC=C1CC2=CC(=O)N=C(N2)C3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C23H25N3O2/c1-28-21-7-3-2-6-19(21)14-20-15-22(27)25-23(24-20)18-10-8-17(9-11-18)16-26-12-4-5-13-26/h2-3,6-11,15H,4-5,12-14,16H2,1H3,(H,24,25,27)/p+1