8-ethyl-2,3,10,11-tetramethoxy-isoquinolino[2,1-b]isoquinolin-7-ium; 2-sulfopropanoate

Systemtic Name: 8-ethyl-2,3,10,11-tetramethoxy-isoquinolino[2,1-b]isoquinolin-7-ium; 2-sulfopropanoate Openeye Name: 8-ethyl-2,3,10,11-tetramethoxy-isoquinolino[2,1-b]isoquinolin-7-ium; 2-sulfopropanoate CAS Name: 8-ethyl-2,3,10,11-tetramethoxyisoquinolino[2,1-b]isoquinolin-7-ium; 2-sulfopropanoate IUPAC Name: 8-ethyl-2,3,10,11-tetramethoxyisoquinolino[2,1-b]isoquinolin-7-ium; 2-sulfopropanoate Traditional Name: 8-ethyl-2,3,10,11-tetramethoxy-isoquinolin[2,1-b]isoquinolin-7-ium; 2-sulfopropionate Formula: C26H29NO9S MolecularWeight: 531.57476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC)OC)OC)OC.CC(C(=O)[O-])S(=O)(=O)O

Isomeric SMILES

CCC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC)OC)OC)OC.CC(C(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C23H24NO4.C3H6O5S/c1-6-18-17-13-23(28-5)21(26-3)11-15(17)9-19-16-12-22(27-4)20(25-2)10-14(16)7-8-24(18)19;1-2(3(4)5)9(6,7)8/h7-13H,6H2,1-5H3;2H,1H3,(H,4,5)(H,6,7,8)/q+1;/p-1