[(2S)-2-[2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoylamino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoylamino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-1-oxoethyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[[2-[(5-bromo-2-furoyl)amino]acetyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C17H21BrN3O3+ MolecularWeight: 395.27094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrN3O3/c1-21(2)11-13(12-6-4-3-5-7-12)20-16(22)10-19-17(23)14-8-9-15(18)24-14/h3-9,13H,10-11H2,1-2H3,(H,19,23)(H,20,22)/p+1/t13-/m1/s1