1-ethyl-3-(3-fluoranyl-4-methyl-phenyl)-6-(3-methylsulfanylpropyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-one

Systemtic Name: 1-ethyl-3-(3-fluoranyl-4-methyl-phenyl)-6-(3-methylsulfanylpropyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-one Openeye Name: 1-ethyl-3-(3-fluoro-4-methyl-phenyl)-6-(3-methylsulfanylpropyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-one CAS Name: 1-ethyl-3-(3-fluoro-4-methylphenyl)-6-[3-(methylthio)propyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-one IUPAC Name: 1-ethyl-3-(3-fluoro-4-methylphenyl)-6-(3-methylsulfanylpropyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-one Traditional Name: 1-ethyl-3-(3-fluoro-4-methyl-phenyl)-6-[3-(methylthio)propyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-one Formula: C21H28FN2OS+ MolecularWeight: 375.523223

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C[NH+](CC2)CCCSC)C=C(C1=O)C3=CC(=C(C=C3)C)F

Isomeric SMILES

CCN1C2=C(C[NH+](CC2)CCCSC)C=C(C1=O)C3=CC(=C(C=C3)C)F

InChI

InChI=1S/C21H27FN2OS/c1-4-24-20-8-10-23(9-5-11-26-3)14-17(20)12-18(21(24)25)16-7-6-15(2)19(22)13-16/h6-7,12-13H,4-5,8-11,14H2,1-3H3/p+1