[(3S)-6-bromanyl-7,8-dimethyl-4-oxidanylidene-2,3-dihydrochromen-3-yl]-dimethyl-azanium

Systemtic Name: [(3S)-6-bromanyl-7,8-dimethyl-4-oxidanylidene-2,3-dihydrochromen-3-yl]-dimethyl-azanium Openeye Name: [(3S)-6-bromo-7,8-dimethyl-4-oxo-chroman-3-yl]-dimethyl-ammonium CAS Name: [(3S)-6-bromo-7,8-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-dimethylammonium IUPAC Name: [(3S)-6-bromo-7,8-dimethyl-4-oxo-2,3-dihydrochromen-3-yl]-dimethylazanium Traditional Name: [(3S)-6-bromo-4-keto-7,8-dimethyl-chroman-3-yl]-dimethyl-ammonium Formula: C13H17BrNO2+ MolecularWeight: 299.18358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=O)C(COC2=C1C)[NH+](C)C)Br

Isomeric SMILES

CC1=C(C=C2C(=O)[C@H](COC2=C1C)[NH+](C)C)Br

InChI

InChI=1S/C13H16BrNO2/c1-7-8(2)13-9(5-10(7)14)12(16)11(6-17-13)15(3)4/h5,11H,6H2,1-4H3/p+1/t11-/m0/s1