2-(1-adamantyl)-6-(1-methylpiperidin-1-ium-4-yl)-1H-pyrimidin-4-one

Systemtic Name: 2-(1-adamantyl)-6-(1-methylpiperidin-1-ium-4-yl)-1H-pyrimidin-4-one Openeye Name: 2-(1-adamantyl)-6-(1-methylpiperidin-1-ium-4-yl)-1H-pyrimidin-4-one CAS Name: 2-(1-adamantyl)-6-(1-methyl-4-piperidin-1-iumyl)-1H-pyrimidin-4-one IUPAC Name: 2-(1-adamantyl)-6-(1-methylpiperidin-1-ium-4-yl)-1H-pyrimidin-4-one Traditional Name: 2-(1-adamantyl)-6-(1-methylpiperidin-1-ium-4-yl)-1H-pyrimidin-4-one Formula: C20H30N3O+ MolecularWeight: 328.4717

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C2=CC(=O)N=C(N2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[NH+]1CCC(CC1)C2=CC(=O)N=C(N2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H29N3O/c1-23-4-2-16(3-5-23)17-9-18(24)22-19(21-17)20-10-13-6-14(11-20)8-15(7-13)12-20/h9,13-16H,2-8,10-12H2,1H3,(H,21,22,24)/p+1