3-(3-fluorophenyl)-1-(2-piperidin-1-ium-1-ylethyl)-6-(1-propan-2-ylpyrazol-4-yl)carbonyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

Systemtic Name: 3-(3-fluorophenyl)-1-(2-piperidin-1-ium-1-ylethyl)-6-(1-propan-2-ylpyrazol-4-yl)carbonyl-7,8-dihydro-5H-1,6-naphthyridin-2-one Openeye Name: 3-(3-fluorophenyl)-6-(1-isopropylpyrazole-4-carbonyl)-1-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one CAS Name: 3-(3-fluorophenyl)-6-[oxo-(1-propan-2-yl-4-pyrazolyl)methyl]-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-(1-propan-2-ylpyrazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one Traditional Name: 3-(3-fluorophenyl)-6-(1-isopropylpyrazole-4-carbonyl)-1-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one Formula: C28H35FN5O2+ MolecularWeight: 492.608203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C(=O)N2CCC3=C(C2)C=C(C(=O)N3CC[NH+]4CCCCC4)C5=CC(=CC=C5)F

Isomeric SMILES

CC(C)N1C=C(C=N1)C(=O)N2CCC3=C(C2)C=C(C(=O)N3CC[NH+]4CCCCC4)C5=CC(=CC=C5)F

InChI

InChI=1S/C28H34FN5O2/c1-20(2)34-19-23(17-30-34)27(35)32-12-9-26-22(18-32)16-25(21-7-6-8-24(29)15-21)28(36)33(26)14-13-31-10-4-3-5-11-31/h6-8,15-17,19-20H,3-5,9-14,18H2,1-2H3/p+1