(3S)-6,8-bis(bromanyl)-3-piperidin-1-ium-1-yl-2,3-dihydrochromen-4-one

Systemtic Name: (3S)-6,8-bis(bromanyl)-3-piperidin-1-ium-1-yl-2,3-dihydrochromen-4-one Openeye Name: (3S)-6,8-dibromo-3-piperidin-1-ium-1-yl-chroman-4-one CAS Name: (3S)-6,8-dibromo-3-(1-piperidin-1-iumyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3S)-6,8-dibromo-3-piperidin-1-ium-1-yl-2,3-dihydrochromen-4-one Traditional Name: (3S)-6,8-dibromo-3-piperidin-1-ium-1-yl-chroman-4-one Formula: C14H16Br2NO2+ MolecularWeight: 390.09034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2COC3=C(C=C(C=C3C2=O)Br)Br

Isomeric SMILES

C1CC[NH+](CC1)[C@H]2COC3=C(C=C(C=C3C2=O)Br)Br

InChI

InChI=1S/C14H15Br2NO2/c15-9-6-10-13(18)12(17-4-2-1-3-5-17)8-19-14(10)11(16)7-9/h6-7,12H,1-5,8H2/p+1/t12-/m0/s1