(3R)-6,8-bis(bromanyl)-3-(4-methylphenyl)sulfanyl-3-(pyrrolidin-1-ium-1-ylmethyl)-2H-chromen-4-one

Systemtic Name: (3R)-6,8-bis(bromanyl)-3-(4-methylphenyl)sulfanyl-3-(pyrrolidin-1-ium-1-ylmethyl)-2H-chromen-4-one Openeye Name: (3R)-6,8-dibromo-3-(p-tolylsulfanyl)-3-(pyrrolidin-1-ium-1-ylmethyl)chroman-4-one CAS Name: (3R)-6,8-dibromo-3-[(4-methylphenyl)thio]-3-(1-pyrrolidin-1-iumylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3R)-6,8-dibromo-3-(4-methylphenyl)sulfanyl-3-(pyrrolidin-1-ium-1-ylmethyl)-2H-chromen-4-one Traditional Name: (3R)-6,8-dibromo-3-(p-tolylthio)-3-(pyrrolidin-1-ium-1-ylmethyl)chroman-4-one Formula: C21H22Br2NO2S+ MolecularWeight: 512.27788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2(COC3=C(C=C(C=C3C2=O)Br)Br)C[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S[C@@]2(COC3=C(C=C(C=C3C2=O)Br)Br)C[NH+]4CCCC4

InChI

InChI=1S/C21H21Br2NO2S/c1-14-4-6-16(7-5-14)27-21(12-24-8-2-3-9-24)13-26-19-17(20(21)25)10-15(22)11-18(19)23/h4-7,10-11H,2-3,8-9,12-13H2,1H3/p+1/t21-/m1/s1