[(1S)-2-[(7-bromanyl-4-oxidanylidene-chromen-2-yl)carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(7-bromanyl-4-oxidanylidene-chromen-2-yl)carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(7-bromo-4-oxo-chromene-2-carbonyl)amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(7-bromo-4-oxo-1-benzopyran-2-yl)-oxomethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(7-bromo-4-oxochromene-2-carbonyl)amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(7-bromo-4-keto-chromene-2-carbonyl)amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C20H20BrN2O3+ MolecularWeight: 416.2884

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC(=O)C2=C(O1)C=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC(=O)C2=C(O1)C=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C20H19BrN2O3/c1-23(2)16(13-6-4-3-5-7-13)12-22-20(25)19-11-17(24)15-9-8-14(21)10-18(15)26-19/h3-11,16H,12H2,1-2H3,(H,22,25)/p+1/t16-/m1/s1