2-[(4-methoxyphenoxy)methyl]-6-[(3S)-1-methylpiperidin-1-ium-3-yl]-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-methoxyphenoxy)methyl]-6-[(3S)-1-methylpiperidin-1-ium-3-yl]-1H-pyrimidin-4-one Openeye Name: 2-[(4-methoxyphenoxy)methyl]-6-[(3S)-1-methylpiperidin-1-ium-3-yl]-1H-pyrimidin-4-one CAS Name: 2-[(4-methoxyphenoxy)methyl]-6-[(3S)-1-methyl-3-piperidin-1-iumyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(4-methoxyphenoxy)methyl]-6-[(3S)-1-methylpiperidin-1-ium-3-yl]-1H-pyrimidin-4-one Traditional Name: 2-[(4-methoxyphenoxy)methyl]-6-[(3S)-1-methylpiperidin-1-ium-3-yl]-1H-pyrimidin-4-one Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)C2=CC(=O)N=C(N2)COC3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)C2=CC(=O)N=C(N2)COC3=CC=C(C=C3)OC

InChI

InChI=1S/C18H23N3O3/c1-21-9-3-4-13(11-21)16-10-18(22)20-17(19-16)12-24-15-7-5-14(23-2)6-8-15/h5-8,10,13H,3-4,9,11-12H2,1-2H3,(H,19,20,22)/p+1/t13-/m0/s1