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

Systemtic Name: 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-6-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C17H24N3O+ MolecularWeight: 286.39196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=CC(=O)N3C(=CC=CC3=N2)C)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC2=CC(=O)N3C(=CC=CC3=N2)C)C

InChI

InChI=1S/C17H23N3O/c1-12-7-13(2)10-19(9-12)11-15-8-17(21)20-14(3)5-4-6-16(20)18-15/h4-6,8,12-13H,7,9-11H2,1-3H3/p+1/t12-,13-/m1/s1