3-[[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]methyl]-6-methyl-chromen-4-one

Systemtic Name: 3-[[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]methyl]-6-methyl-chromen-4-one Openeye Name: 3-[[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]methyl]-6-methyl-chromen-4-one CAS Name: 3-[[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]methyl]-6-methyl-1-benzopyran-4-one IUPAC Name: 3-[[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]methyl]-6-methylchromen-4-one Traditional Name: 3-[[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]methyl]-6-methyl-chromone Formula: C22H21FNO2+ MolecularWeight: 350.406043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+]3CCC(=CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+]3CCC(=CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H20FNO2/c1-15-2-7-21-20(12-15)22(25)18(14-26-21)13-24-10-8-17(9-11-24)16-3-5-19(23)6-4-16/h2-8,12,14H,9-11,13H2,1H3/p+1