Analyte Name

4-((6bR,10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-yl)-1-(p-tolyl)butan-1-one 4-methylbenzenesulfonate

Molecular Formula

C32H39N3O4S

Molecular Weight

561.74

Accurate Mass

561.27

SMILES

O=C(C1=CC=C(C)C=C1)CCCN2CC[C@@](N3CCN(C)C4=C3C5=CC=C4)([H])[C@@]5([H])C2.O=S(C6=CC=C(C)C=C6)(O)=O

InChI

InChI=1S/C25H31N3O.C7H8O3S/c1-18-8-10-19(11-9-18)24(29)7-4-13-27-14-12-22-21(17-27)20-5-3-6-23-25(20)28(22)16-15-26(23)2;1-6-2-4-7(5-3-6)11(8,9)10/h3,5-6,8-11,21-22H,4,7,12-17H2,1-2H3;2-5H,1H3,(H,8,9,10)/t21-,22-;/m0./s1

IUPAC

4-((6bR,10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-yl)-1-(p-tolyl)butan-1-one 4-methylbenzenesulfonate

Country of Origin

CANADA

Product Format

Neat