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

Systemtic Name: 6-[(3S)-1-methylpiperidin-1-ium-3-yl]-2-pyridin-3-yl-1H-pyrimidin-4-one Openeye Name: 6-[(3S)-1-methylpiperidin-1-ium-3-yl]-2-(3-pyridyl)-1H-pyrimidin-4-one CAS Name: 6-[(3S)-1-methyl-3-piperidin-1-iumyl]-2-(3-pyridinyl)-1H-pyrimidin-4-one IUPAC Name: 6-[(3S)-1-methylpiperidin-1-ium-3-yl]-2-pyridin-3-yl-1H-pyrimidin-4-one Traditional Name: 6-[(3S)-1-methylpiperidin-1-ium-3-yl]-2-(3-pyridyl)-1H-pyrimidin-4-one Formula: C15H19N4O+ MolecularWeight: 271.33756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O/c1-19-7-3-5-12(10-19)13-8-14(20)18-15(17-13)11-4-2-6-16-9-11/h2,4,6,8-9,12H,3,5,7,10H2,1H3,(H,17,18,20)/p+1/t12-/m0/s1