3-(3-fluorophenyl)-6-(oxan-4-ylcarbonyl)-1-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

Systemtic Name: 3-(3-fluorophenyl)-6-(oxan-4-ylcarbonyl)-1-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one Openeye Name: 3-(3-fluorophenyl)-1-(2-piperidin-1-ium-1-ylethyl)-6-(tetrahydropyran-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one CAS Name: 3-(3-fluorophenyl)-6-[4-oxanyl(oxo)methyl]-1-[2-(1-piperidin-1-iumyl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one IUPAC Name: 3-(3-fluorophenyl)-6-(oxane-4-carbonyl)-1-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one Traditional Name: 3-(3-fluorophenyl)-1-(2-piperidin-1-ium-1-ylethyl)-6-(tetrahydropyran-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one Formula: C27H35FN3O3+ MolecularWeight: 468.583503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=C(CN(CC3)C(=O)C4CCOCC4)C=C(C2=O)C5=CC(=CC=C5)F

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=C(CN(CC3)C(=O)C4CCOCC4)C=C(C2=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C27H34FN3O3/c28-23-6-4-5-21(17-23)24-18-22-19-30(26(32)20-8-15-34-16-9-20)12-7-25(22)31(27(24)33)14-13-29-10-2-1-3-11-29/h4-6,17-18,20H,1-3,7-16,19H2/p+1