6,8-bis(bromanyl)-7-methyl-3-phenylsulfanyl-3-(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one

Systemtic Name: 6,8-bis(bromanyl)-7-methyl-3-phenylsulfanyl-3-(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one Openeye Name: 6,8-dibromo-7-methyl-3-phenylsulfanyl-3-(piperidin-1-ium-1-ylmethyl)chroman-4-one CAS Name: 6,8-dibromo-7-methyl-3-(phenylthio)-3-(1-piperidin-1-iumylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 6,8-dibromo-7-methyl-3-phenylsulfanyl-3-(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one Traditional Name: 6,8-dibromo-7-methyl-3-(phenylthio)-3-(piperidin-1-ium-1-ylmethyl)chroman-4-one Formula: C22H24Br2NO2S+ MolecularWeight: 526.30446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1Br)OCC(C2=O)(C[NH+]3CCCCC3)SC4=CC=CC=C4)Br

Isomeric SMILES

CC1=C(C=C2C(=C1Br)OCC(C2=O)(C[NH+]3CCCCC3)SC4=CC=CC=C4)Br

InChI

InChI=1S/C22H23Br2NO2S/c1-15-18(23)12-17-20(19(15)24)27-14-22(21(17)26,13-25-10-6-3-7-11-25)28-16-8-4-2-5-9-16/h2,4-5,8-9,12H,3,6-7,10-11,13-14H2,1H3/p+1