[(1S)-2-[(5-bromanyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-1-(3-fluorophenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(5-bromanyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-1-(3-fluorophenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(5-bromo-3-methyl-benzofuran-2-carbonyl)amino]-1-(3-fluorophenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(5-bromo-3-methyl-2-benzofuranyl)-oxomethyl]amino]-1-(3-fluorophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]-1-(3-fluorophenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(5-bromo-3-methyl-benzofuran-2-carbonyl)amino]-1-(3-fluorophenyl)ethyl]-dimethyl-ammonium Formula: C20H21BrFN2O2+ MolecularWeight: 420.295343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NCC(C3=CC(=CC=C3)F)[NH+](C)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NC[C@H](C3=CC(=CC=C3)F)[NH+](C)C

InChI

InChI=1S/C20H20BrFN2O2/c1-12-16-10-14(21)7-8-18(16)26-19(12)20(25)23-11-17(24(2)3)13-5-4-6-15(22)9-13/h4-10,17H,11H2,1-3H3,(H,23,25)/p+1/t17-/m1/s1