[3-(4-fluorophenyl)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [3-(4-fluorophenyl)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [3-(4-fluorophenyl)-7-hydroxy-2-methyl-4-oxo-chromen-8-yl]methyl-(2-thienylmethyl)ammonium CAS Name: [3-(4-fluorophenyl)-7-hydroxy-2-methyl-4-oxo-1-benzopyran-8-yl]methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [3-(4-fluorophenyl)-7-hydroxy-2-methyl-4-oxochromen-8-yl]methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [3-(4-fluorophenyl)-7-hydroxy-4-keto-2-methyl-chromen-8-yl]methyl-(2-thenyl)ammonium Formula: C22H19FNO3S+ MolecularWeight: 396.454563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH2+]CC3=CC=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH2+]CC3=CC=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FNO3S/c1-13-20(14-4-6-15(23)7-5-14)21(26)17-8-9-19(25)18(22(17)27-13)12-24-11-16-3-2-10-28-16/h2-10,24-25H,11-12H2,1H3/p+1