[(1S)-2-[(5-bromanyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-1-(4-methylphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(5-bromanyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-1-(4-methylphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(5-bromo-3-methyl-benzofuran-2-carbonyl)amino]-1-(p-tolyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(5-bromo-3-methyl-2-benzofuranyl)-oxomethyl]amino]-1-(4-methylphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]-1-(4-methylphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(5-bromo-3-methyl-benzofuran-2-carbonyl)amino]-1-(p-tolyl)ethyl]-dimethyl-ammonium Formula: C21H24BrN2O2+ MolecularWeight: 416.33146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O2/c1-13-5-7-15(8-6-13)18(24(3)4)12-23-21(25)20-14(2)17-11-16(22)9-10-19(17)26-20/h5-11,18H,12H2,1-4H3,(H,23,25)/p+1/t18-/m1/s1