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

Systemtic Name: (3R)-6-bromanyl-7-methyl-3-(4-methylphenyl)sulfanyl-3-(pyrrolidin-1-ium-1-ylmethyl)-2H-chromen-4-one Openeye Name: (3R)-6-bromo-7-methyl-3-(p-tolylsulfanyl)-3-(pyrrolidin-1-ium-1-ylmethyl)chroman-4-one CAS Name: (3R)-6-bromo-7-methyl-3-[(4-methylphenyl)thio]-3-(1-pyrrolidin-1-iumylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3R)-6-bromo-7-methyl-3-(4-methylphenyl)sulfanyl-3-(pyrrolidin-1-ium-1-ylmethyl)-2H-chromen-4-one Traditional Name: (3R)-6-bromo-7-methyl-3-(p-tolylthio)-3-(pyrrolidin-1-ium-1-ylmethyl)chroman-4-one Formula: C22H25BrNO2S+ MolecularWeight: 447.4084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrNO2S/c1-15-5-7-17(8-6-15)27-22(13-24-9-3-4-10-24)14-26-20-11-16(2)19(23)12-18(20)21(22)25/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3/p+1/t22-/m1/s1