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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl-[2-(3-fluoroanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylammonium IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium Traditional Name: [2-(3-fluoroanilino)-2-keto-ethyl]-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]-methyl-ammonium Formula: C21H22FN2O3+ MolecularWeight: 369.409383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC(=O)NC3=CC(=CC=C3)F)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC(=O)NC3=CC(=CC=C3)F)C

InChI

InChI=1S/C21H21FN2O3/c1-13-7-18-15(9-21(26)27-19(18)8-14(13)2)11-24(3)12-20(25)23-17-6-4-5-16(22)10-17/h4-10H,11-12H2,1-3H3,(H,23,25)/p+1