(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl-[2-(3-fluoroanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylammonium IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl-[2-(3-fluoroanilino)-2-keto-ethyl]-methyl-ammonium Formula: C21H22FN2O4+ MolecularWeight: 385.408783

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC(=O)NC3=CC(=CC=C3)F)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC(=O)NC3=CC(=CC=C3)F)O

InChI

InChI=1S/C21H21FN2O4/c1-3-13-7-17-14(8-21(27)28-19(17)10-18(13)25)11-24(2)12-20(26)23-16-6-4-5-15(22)9-16/h4-10,25H,3,11-12H2,1-2H3,(H,23,26)/p+1