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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NCC(CC3=CC=CC=C3)[NH+](C)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NC[C@H](CC3=CC=CC=C3)[NH+](C)C

InChI

InChI=1S/C21H23BrN2O2/c1-14-18-12-16(22)9-10-19(18)26-20(14)21(25)23-13-17(24(2)3)11-15-7-5-4-6-8-15/h4-10,12,17H,11,13H2,1-3H3,(H,23,25)/p+1/t17-/m0/s1