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

Systemtic Name: 2-sulfoethanoate; 2,3,11-trimethoxy-8-methyl-isoquinolino[2,1-b]isoquinolin-7-ium Openeye Name: 2-sulfoacetate; 2,3,11-trimethoxy-8-methyl-isoquinolino[2,1-b]isoquinolin-7-ium CAS Name: 2-sulfoacetate; 2,3,11-trimethoxy-8-methylisoquinolino[2,1-b]isoquinolin-7-ium IUPAC Name: 2-sulfoacetate; 2,3,11-trimethoxy-8-methylisoquinolino[2,1-b]isoquinolin-7-ium Traditional Name: 2-sulfoacetate; 2,3,11-trimethoxy-8-methyl-isoquinolin[2,1-b]isoquinolin-7-ium Formula: C23H23NO8S MolecularWeight: 473.49562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20NO3.C2H4O5S/c1-13-17-6-5-16(23-2)9-15(17)10-19-18-12-21(25-4)20(24-3)11-14(18)7-8-22(13)19;3-2(4)1-8(5,6)7/h5-12H,1-4H3;1H2,(H,3,4)(H,5,6,7)/q+1;/p-1