9-dodecoxy-13-ethyl-2,3,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride

Systemtic Name: 9-dodecoxy-13-ethyl-2,3,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride Openeye Name: 9-dodecoxy-13-ethyl-2,3,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride CAS Name: 9-dodecoxy-13-ethyl-2,3,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride IUPAC Name: 9-dodecoxy-13-ethyl-2,3,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride Traditional Name: 13-ethyl-9-lauryloxy-2,3,10-trimethoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium chloride Formula: C34H48ClNO4 MolecularWeight: 570.20222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=CC2=C(C3=[N+](CCC4=CC(=C(C=C43)OC)OC)C=C21)CC)OC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=CC2=C(C3=[N+](CCC4=CC(=C(C=C43)OC)OC)C=C21)CC)OC.[Cl-]

InChI

InChI=1S/C34H48NO4.ClH/c1-6-8-9-10-11-12-13-14-15-16-21-39-34-29-24-35-20-19-25-22-31(37-4)32(38-5)23-28(25)33(35)26(7-2)27(29)17-18-30(34)36-3;/h17-18,22-24H,6-16,19-21H2,1-5H3;1H/q+1;/p-1