2-sulfobutanoic acid; 2,3,10,11-tetramethoxy-8-propyl-isoquinolino[2,1-b]isoquinolin-7-ium

Systemtic Name: 2-sulfobutanoic acid; 2,3,10,11-tetramethoxy-8-propyl-isoquinolino[2,1-b]isoquinolin-7-ium Openeye Name: 2-sulfobutanoic acid; 2,3,10,11-tetramethoxy-8-propyl-isoquinolino[2,1-b]isoquinolin-7-ium CAS Name: 2-sulfobutanoic acid; 2,3,10,11-tetramethoxy-8-propylisoquinolino[2,1-b]isoquinolin-7-ium IUPAC Name: 2-sulfobutanoic acid; 2,3,10,11-tetramethoxy-8-propylisoquinolino[2,1-b]isoquinolin-7-ium Traditional Name: 2-sulfobutyric acid; 2,3,10,11-tetramethoxy-8-propyl-isoquinolin[2,1-b]isoquinolin-7-ium Formula: C28H34NO9S+ MolecularWeight: 560.63586

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC)OC)OC)OC.CCC(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC)OC)OC)OC.CCC(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C24H26NO4.C4H8O5S/c1-6-7-19-18-14-24(29-5)22(27-3)12-16(18)10-20-17-13-23(28-4)21(26-2)11-15(17)8-9-25(19)20;1-2-3(4(5)6)10(7,8)9/h8-14H,6-7H2,1-5H3;3H,2H2,1H3,(H,5,6)(H,7,8,9)/q+1;