3-(3-fluorophenyl)-1-(2-piperidin-1-ium-1-ylethyl)-6-(3-pyrazin-2-ylpropanoyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

Systemtic Name: 3-(3-fluorophenyl)-1-(2-piperidin-1-ium-1-ylethyl)-6-(3-pyrazin-2-ylpropanoyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one Openeye Name: 3-(3-fluorophenyl)-1-(2-piperidin-1-ium-1-ylethyl)-6-(3-pyrazin-2-ylpropanoyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one CAS Name: 3-(3-fluorophenyl)-6-[1-oxo-3-(2-pyrazinyl)propyl]-1-[2-(1-piperidin-1-iumyl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one IUPAC Name: 3-(3-fluorophenyl)-1-(2-piperidin-1-ium-1-ylethyl)-6-(3-pyrazin-2-ylpropanoyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one Traditional Name: 3-(3-fluorophenyl)-1-(2-piperidin-1-ium-1-ylethyl)-6-(3-pyrazin-2-ylpropanoyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one Formula: C28H33FN5O2+ MolecularWeight: 490.592323

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=C(CN(CC3)C(=O)CCC4=NC=CN=C4)C=C(C2=O)C5=CC(=CC=C5)F

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=C(CN(CC3)C(=O)CCC4=NC=CN=C4)C=C(C2=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C28H32FN5O2/c29-23-6-4-5-21(17-23)25-18-22-20-33(27(35)8-7-24-19-30-10-11-31-24)14-9-26(22)34(28(25)36)16-15-32-12-2-1-3-13-32/h4-6,10-11,17-19H,1-3,7-9,12-16,20H2/p+1