diethyl-[[4-[[(7-fluoranyl-3-methyl-1-benzofuran-2-yl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[4-[[(7-fluoranyl-3-methyl-1-benzofuran-2-yl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[[(7-fluoro-3-methyl-benzofuran-2-carbonyl)amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[(7-fluoro-3-methyl-2-benzofuranyl)-oxomethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[(7-fluoro-3-methyl-benzofuran-2-carbonyl)amino]methyl]benzyl]ammonium Formula: C22H26FN2O2+ MolecularWeight: 369.452443

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=C(C3=C(O2)C(=CC=C3)F)C

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=C(C3=C(O2)C(=CC=C3)F)C

InChI

InChI=1S/C22H25FN2O2/c1-4-25(5-2)14-17-11-9-16(10-12-17)13-24-22(26)20-15(3)18-7-6-8-19(23)21(18)27-20/h6-12H,4-5,13-14H2,1-3H3,(H,24,26)/p+1