2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-methyl-1H-pyrimidin-4-one Formula: C13H22N3O+ MolecularWeight: 236.33328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=NC(=O)C=C(N2)C)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC2=NC(=O)C=C(N2)C)C

InChI

InChI=1S/C13H21N3O/c1-9-4-10(2)7-16(6-9)8-12-14-11(3)5-13(17)15-12/h5,9-10H,4,6-8H2,1-3H3,(H,14,15,17)/p+1/t9-,10-/m1/s1