10,11-dimethoxy-8-methyl-isoquinolino[2,1-b]isoquinolin-7-ium; 2-sulfoethanoate

Systemtic Name: 10,11-dimethoxy-8-methyl-isoquinolino[2,1-b]isoquinolin-7-ium; 2-sulfoethanoate Openeye Name: 10,11-dimethoxy-8-methyl-isoquinolino[2,1-b]isoquinolin-7-ium; 2-sulfoacetate CAS Name: 10,11-dimethoxy-8-methylisoquinolino[2,1-b]isoquinolin-7-ium; 2-sulfoacetate IUPAC Name: 10,11-dimethoxy-8-methylisoquinolino[2,1-b]isoquinolin-7-ium; 2-sulfoacetate Traditional Name: 10,11-dimethoxy-8-methyl-isoquinolin[2,1-b]isoquinolin-7-ium; 2-sulfoacetate Formula: C22H21NO7S MolecularWeight: 443.46964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC=CC=C43)OC)OC.C(C(=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC=CC=C43)OC)OC.C(C(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C20H18NO2.C2H4O5S/c1-13-17-12-20(23-3)19(22-2)11-15(17)10-18-16-7-5-4-6-14(16)8-9-21(13)18;3-2(4)1-8(5,6)7/h4-12H,1-3H3;1H2,(H,3,4)(H,5,6,7)/q+1;/p-1