2-[(4-methoxyphenoxy)methyl]-6-(1-methylpiperidin-1-ium-4-yl)-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-methoxyphenoxy)methyl]-6-(1-methylpiperidin-1-ium-4-yl)-1H-pyrimidin-4-one Openeye Name: 2-[(4-methoxyphenoxy)methyl]-6-(1-methylpiperidin-1-ium-4-yl)-1H-pyrimidin-4-one CAS Name: 2-[(4-methoxyphenoxy)methyl]-6-(1-methyl-4-piperidin-1-iumyl)-1H-pyrimidin-4-one IUPAC Name: 2-[(4-methoxyphenoxy)methyl]-6-(1-methylpiperidin-1-ium-4-yl)-1H-pyrimidin-4-one Traditional Name: 2-[(4-methoxyphenoxy)methyl]-6-(1-methylpiperidin-1-ium-4-yl)-1H-pyrimidin-4-one Formula: C18H24N3O3+ MolecularWeight: 330.40146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C2=CC(=O)N=C(N2)COC3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+]1CCC(CC1)C2=CC(=O)N=C(N2)COC3=CC=C(C=C3)OC

InChI

InChI=1S/C18H23N3O3/c1-21-9-7-13(8-10-21)16-11-18(22)20-17(19-16)12-24-15-5-3-14(23-2)4-6-15/h3-6,11,13H,7-10,12H2,1-2H3,(H,19,20,22)/p+1