diethyl-[(1S)-2-[(5-fluoranyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-1-(3-methoxyphenyl)ethyl]azanium

Systemtic Name: diethyl-[(1S)-2-[(5-fluoranyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-1-(3-methoxyphenyl)ethyl]azanium Openeye Name: diethyl-[(1S)-2-[(5-fluoro-3-methyl-benzofuran-2-carbonyl)amino]-1-(3-methoxyphenyl)ethyl]ammonium CAS Name: diethyl-[(1S)-2-[[(5-fluoro-3-methyl-2-benzofuranyl)-oxomethyl]amino]-1-(3-methoxyphenyl)ethyl]ammonium IUPAC Name: diethyl-[(1S)-2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-1-(3-methoxyphenyl)ethyl]azanium Traditional Name: diethyl-[(1S)-2-[(5-fluoro-3-methyl-benzofuran-2-carbonyl)amino]-1-(3-methoxyphenyl)ethyl]ammonium Formula: C23H28FN2O3+ MolecularWeight: 399.478423

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)C1=C(C2=C(O1)C=CC(=C2)F)C)C3=CC(=CC=C3)OC

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)C1=C(C2=C(O1)C=CC(=C2)F)C)C3=CC(=CC=C3)OC

InChI

InChI=1S/C23H27FN2O3/c1-5-26(6-2)20(16-8-7-9-18(12-16)28-4)14-25-23(27)22-15(3)19-13-17(24)10-11-21(19)29-22/h7-13,20H,5-6,14H2,1-4H3,(H,25,27)/p+1/t20-/m1/s1