(3R)-6-bromanyl-3-(4-chlorophenyl)sulfanyl-7-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-2H-chromen-4-one

Systemtic Name: (3R)-6-bromanyl-3-(4-chlorophenyl)sulfanyl-7-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-2H-chromen-4-one Openeye Name: (3R)-6-bromo-3-(4-chlorophenyl)sulfanyl-7-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)chroman-4-one CAS Name: (3R)-6-bromo-3-[(4-chlorophenyl)thio]-7-methyl-3-(1-pyrrolidin-1-iumylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3R)-6-bromo-3-(4-chlorophenyl)sulfanyl-7-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-2H-chromen-4-one Traditional Name: (3R)-6-bromo-3-[(4-chlorophenyl)thio]-7-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)chroman-4-one Formula: C21H22BrClNO2S+ MolecularWeight: 467.82688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OCC(C2=O)(C[NH+]3CCCC3)SC4=CC=C(C=C4)Cl)Br

Isomeric SMILES

CC1=C(C=C2C(=C1)OC[C@@](C2=O)(C[NH+]3CCCC3)SC4=CC=C(C=C4)Cl)Br

InChI

InChI=1S/C21H21BrClNO2S/c1-14-10-19-17(11-18(14)22)20(25)21(13-26-19,12-24-8-2-3-9-24)27-16-6-4-15(23)5-7-16/h4-7,10-11H,2-3,8-9,12-13H2,1H3/p+1/t21-/m1/s1