(13R,13aS)-2,3,9,10-tetramethoxy-13-methyl-5,6,7,8,13,13a-hexahydroisoquinolino[2,1-b]isoquinolin-7-ium chloride

Systemtic Name: (13R,13aS)-2,3,9,10-tetramethoxy-13-methyl-5,6,7,8,13,13a-hexahydroisoquinolino[2,1-b]isoquinolin-7-ium chloride Openeye Name: (13R,13aS)-2,3,9,10-tetramethoxy-13-methyl-5,6,7,8,13,13a-hexahydroisoquinolino[2,1-b]isoquinolin-7-ium chloride CAS Name: (13R,13aS)-2,3,9,10-tetramethoxy-13-methyl-5,6,7,8,13,13a-hexahydroisoquinolino[2,1-b]isoquinolin-7-ium chloride IUPAC Name: (13R,13aS)-2,3,9,10-tetramethoxy-13-methyl-5,6,7,8,13,13a-hexahydroisoquinolino[2,1-b]isoquinolin-7-ium chloride Traditional Name: (13R,13aS)-2,3,9,10-tetramethoxy-13-methyl-5,6,7,8,13,13a-hexahydroisoquinolin[2,1-b]isoquinolin-7-ium chloride Formula: C22H28ClNO4 MolecularWeight: 405.91502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2C3=CC(=C(C=C3CC[NH+]2CC4=C1C=CC(=C4OC)OC)OC)OC.[Cl-]

Isomeric SMILES

C[C@H]1[C@H]2C3=CC(=C(C=C3CC[NH+]2CC4=C1C=CC(=C4OC)OC)OC)OC.[Cl-]

InChI

InChI=1S/C22H27NO4.ClH/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23;/h6-7,10-11,13,21H,8-9,12H2,1-5H3;1H/t13-,21+;/m1./s1