2-sulfoethanoate; 2,3,9,10-tetramethoxy-5-methyl-isoquinolino[2,3-b]isoquinolin-6-ium

Systemtic Name: 2-sulfoethanoate; 2,3,9,10-tetramethoxy-5-methyl-isoquinolino[2,3-b]isoquinolin-6-ium Openeye Name: 2-sulfoacetate; 2,3,9,10-tetramethoxy-5-methyl-isoquinolino[2,3-b]isoquinolin-6-ium CAS Name: 2-sulfoacetate; 2,3,9,10-tetramethoxy-5-methylisoquinolino[2,3-b]isoquinolin-6-ium IUPAC Name: 2-sulfoacetate; 2,3,9,10-tetramethoxy-5-methylisoquinolino[2,3-b]isoquinolin-6-ium Traditional Name: 2-sulfoacetate; 2,3,9,10-tetramethoxy-5-methyl-isoquinolin[2,3-b]isoquinolin-6-ium Formula: C24H25NO9S MolecularWeight: 503.5216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=CC2=CC3=[N+]1C=C4C=C(C(=CC4=C3)OC)OC)OC)OC.C(C(=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC1=C2C=C(C(=CC2=CC3=[N+]1C=C4C=C(C(=CC4=C3)OC)OC)OC)OC.C(C(=O)[O-])S(=O)(=O)O

InChI

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