2-sulfoethanoate; 2,3,11,12-tetramethoxy-8-methyl-isoquinolino[2,1-b]isoquinolin-7-ium

Systemtic Name: 2-sulfoethanoate; 2,3,11,12-tetramethoxy-8-methyl-isoquinolino[2,1-b]isoquinolin-7-ium Openeye Name: 2-sulfoacetate; 2,3,11,12-tetramethoxy-8-methyl-isoquinolino[2,1-b]isoquinolin-7-ium CAS Name: 2-sulfoacetate; 2,3,11,12-tetramethoxy-8-methylisoquinolino[2,1-b]isoquinolin-7-ium IUPAC Name: 2-sulfoacetate; 2,3,11,12-tetramethoxy-8-methylisoquinolino[2,1-b]isoquinolin-7-ium Traditional Name: 2-sulfoacetate; 2,3,11,12-tetramethoxy-8-methyl-isoquinolin[2,1-b]isoquinolin-7-ium Formula: C24H25NO9S MolecularWeight: 503.5216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=C(C2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC)OC)OC)OC.C(C(=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC1=C2C=CC(=C(C2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC)OC)OC)OC.C(C(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C22H22NO4.C2H4O5S/c1-13-15-6-7-19(24-2)22(27-5)17(15)11-18-16-12-21(26-4)20(25-3)10-14(16)8-9-23(13)18;3-2(4)1-8(5,6)7/h6-12H,1-5H3;1H2,(H,3,4)(H,5,6,7)/q+1;/p-1