2,3,9,10-tetramethoxyisoquinolino[2,1-b]isoquinolin-7-ium hydrate

Systemtic Name: 2,3,9,10-tetramethoxyisoquinolino[2,1-b]isoquinolin-7-ium hydrate Openeye Name: 2,3,9,10-tetramethoxyisoquinolino[2,1-b]isoquinolin-7-ium hydrate CAS Name: 2,3,9,10-tetramethoxyisoquinolino[2,1-b]isoquinolin-7-ium hydrate IUPAC Name: 2,3,9,10-tetramethoxyisoquinolino[2,1-b]isoquinolin-7-ium hydrate Traditional Name: 2,3,9,10-tetramethoxyisoquinolin[2,1-b]isoquinolin-7-ium hydrate Formula: C21H22NO5+ MolecularWeight: 368.40308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4C=C3)OC)OC)OC.O

Isomeric SMILES

COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4C=C3)OC)OC)OC.O

InChI

InChI=1S/C21H20NO4.H2O/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4;/h5-12H,1-4H3;1H2/q+1;