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

Systemtic Name: [(1S)-2-[(7-bromanyl-4-oxidanylidene-chromen-2-yl)carbonylamino]-1-(4-methylphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(7-bromo-4-oxo-chromene-2-carbonyl)amino]-1-(p-tolyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(7-bromo-4-oxo-1-benzopyran-2-yl)-oxomethyl]amino]-1-(4-methylphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(7-bromo-4-oxochromene-2-carbonyl)amino]-1-(4-methylphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(7-bromo-4-keto-chromene-2-carbonyl)amino]-1-(p-tolyl)ethyl]-dimethyl-ammonium Formula: C21H22BrN2O3+ MolecularWeight: 430.31498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O3/c1-13-4-6-14(7-5-13)17(24(2)3)12-23-21(26)20-11-18(25)16-9-8-15(22)10-19(16)27-20/h4-11,17H,12H2,1-3H3,(H,23,26)/p+1/t17-/m1/s1