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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C1COC2=C(C1=O)C=C(C=C2)Br

Isomeric SMILES

CC[NH+](CC)[C@H]1COC2=C(C1=O)C=C(C=C2)Br

InChI

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