(3R)-6-bromanyl-7-methyl-3-(4-methylphenyl)sulfanyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2H-chromen-4-one

Systemtic Name: (3R)-6-bromanyl-7-methyl-3-(4-methylphenyl)sulfanyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2H-chromen-4-one Openeye Name: (3R)-6-bromo-7-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-(p-tolylsulfanyl)chroman-4-one CAS Name: (3R)-6-bromo-7-methyl-3-[(4-methylphenyl)thio]-3-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3R)-6-bromo-7-methyl-3-(4-methylphenyl)sulfanyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2H-chromen-4-one Traditional Name: (3R)-6-bromo-7-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-(p-tolylthio)chroman-4-one Formula: C24H29BrNO2S+ MolecularWeight: 475.46156

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2(COC3=CC(=C(C=C3C2=O)Br)C)SC4=CC=C(C=C4)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)C[C@]2(COC3=CC(=C(C=C3C2=O)Br)C)SC4=CC=C(C=C4)C

InChI

InChI=1S/C24H28BrNO2S/c1-16-6-8-19(9-7-16)29-24(14-26-10-4-5-17(2)13-26)15-28-22-11-18(3)21(25)12-20(22)23(24)27/h6-9,11-12,17H,4-5,10,13-15H2,1-3H3/p+1/t17-,24+/m0/s1