(3R)-6,8-bis(bromanyl)-3-methyl-3-(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one

Systemtic Name: (3R)-6,8-bis(bromanyl)-3-methyl-3-(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one Openeye Name: (3R)-6,8-dibromo-3-methyl-3-(piperidin-1-ium-1-ylmethyl)chroman-4-one CAS Name: (3R)-6,8-dibromo-3-methyl-3-(1-piperidin-1-iumylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3R)-6,8-dibromo-3-methyl-3-(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one Traditional Name: (3R)-6,8-dibromo-3-methyl-3-(piperidin-1-ium-1-ylmethyl)chroman-4-one Formula: C16H20Br2NO2+ MolecularWeight: 418.1435

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2C1=O)Br)Br)C[NH+]3CCCCC3

Isomeric SMILES

C[C@]1(COC2=C(C=C(C=C2C1=O)Br)Br)C[NH+]3CCCCC3

InChI

InChI=1S/C16H19Br2NO2/c1-16(9-19-5-3-2-4-6-19)10-21-14-12(15(16)20)7-11(17)8-13(14)18/h7-8H,2-6,9-10H2,1H3/p+1/t16-/m1/s1