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

Systemtic Name: [(1S)-2-[(5-bromanyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(5-bromo-3-methyl-benzofuran-2-carbonyl)amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(5-bromo-3-methyl-2-benzofuranyl)-oxomethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(5-bromo-3-methyl-benzofuran-2-carbonyl)amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C20H22BrN2O2+ MolecularWeight: 402.30488

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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)[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O2/c1-13-16-11-15(21)9-10-18(16)25-19(13)20(24)22-12-17(23(2)3)14-7-5-4-6-8-14/h4-11,17H,12H2,1-3H3,(H,22,24)/p+1/t17-/m1/s1