13-ethyl-10-methoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3,9-triol

Systemtic Name: 13-ethyl-10-methoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3,9-triol Openeye Name: 13-ethyl-10-methoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3,9-triol CAS Name: 13-ethyl-10-methoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3,9-triol IUPAC Name: 13-ethyl-10-methoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3,9-triol Traditional Name: 13-ethyl-10-methoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium-2,3,9-triol Formula: C20H20NO4+ MolecularWeight: 338.3771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)O)O)O)OC

Isomeric SMILES

CCC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)O)O)O)OC

InChI

InChI=1S/C20H19NO4/c1-3-12-13-4-5-18(25-2)20(24)15(13)10-21-7-6-11-8-16(22)17(23)9-14(11)19(12)21/h4-5,8-10H,3,6-7H2,1-2H3,(H2,22,23,24)/p+1