13-hexyl-2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride

Systemtic Name: 13-hexyl-2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride Openeye Name: 13-hexyl-2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride CAS Name: 13-hexyl-2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride IUPAC Name: 13-hexyl-2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride Traditional Name: 13-hexyl-2,3,9,10-tetramethoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium chloride Formula: C27H34ClNO4 MolecularWeight: 472.01616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC.[Cl-]

Isomeric SMILES

CCCCCCC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC.[Cl-]

InChI

InChI=1S/C27H34NO4.ClH/c1-6-7-8-9-10-20-19-11-12-23(29-2)27(32-5)22(19)17-28-14-13-18-15-24(30-3)25(31-4)16-21(18)26(20)28;/h11-12,15-17H,6-10,13-14H2,1-5H3;1H/q+1;/p-1