(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: (2-ethoxycarbonylbenzofuran-3-yl)methyl-[(3-fluoro-4-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: (2-ethoxycarbonyl-3-benzofuranyl)methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylammonium IUPAC Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium Traditional Name: (2-carbethoxybenzofuran-3-yl)methyl-(3-fluoro-4-methoxy-benzyl)-methyl-ammonium Formula: C21H23FNO4+ MolecularWeight: 372.410023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+](C)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+](C)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H22FNO4/c1-4-26-21(24)20-16(15-7-5-6-8-18(15)27-20)13-23(2)12-14-9-10-19(25-3)17(22)11-14/h5-11H,4,12-13H2,1-3H3/p+1