(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (2-ethoxycarbonylbenzofuran-3-yl)methyl-[2-(4-fluoroanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (2-ethoxycarbonyl-3-benzofuranyl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylammonium IUPAC Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium Traditional Name: (2-carbethoxybenzofuran-3-yl)methyl-[2-(4-fluoroanilino)-2-keto-ethyl]-methyl-ammonium Formula: C21H22FN2O4+ MolecularWeight: 385.408783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+](C)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+](C)CC(=O)NC3=CC=C(C=C3)F

InChI

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