(3R)-6-bromanyl-3-(4-methylphenyl)sulfanyl-3-(morpholin-4-ium-4-ylmethyl)-2H-chromen-4-one

Systemtic Name: (3R)-6-bromanyl-3-(4-methylphenyl)sulfanyl-3-(morpholin-4-ium-4-ylmethyl)-2H-chromen-4-one Openeye Name: (3R)-6-bromo-3-(morpholin-4-ium-4-ylmethyl)-3-(p-tolylsulfanyl)chroman-4-one CAS Name: (3R)-6-bromo-3-[(4-methylphenyl)thio]-3-(4-morpholin-4-iumylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3R)-6-bromo-3-(4-methylphenyl)sulfanyl-3-(morpholin-4-ium-4-ylmethyl)-2H-chromen-4-one Traditional Name: (3R)-6-bromo-3-(morpholin-4-ium-4-ylmethyl)-3-(p-tolylthio)chroman-4-one Formula: C21H23BrNO3S+ MolecularWeight: 449.38122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2(COC3=C(C2=O)C=C(C=C3)Br)C[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)S[C@@]2(COC3=C(C2=O)C=C(C=C3)Br)C[NH+]4CCOCC4

InChI

InChI=1S/C21H22BrNO3S/c1-15-2-5-17(6-3-15)27-21(13-23-8-10-25-11-9-23)14-26-19-7-4-16(22)12-18(19)20(21)24/h2-7,12H,8-11,13-14H2,1H3/p+1/t21-/m1/s1