8-hexyl-2,9,10-trimethoxy-3-octoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride

Systemtic Name: 8-hexyl-2,9,10-trimethoxy-3-octoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride Openeye Name: 8-hexyl-2,9,10-trimethoxy-3-octoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride CAS Name: 8-hexyl-2,9,10-trimethoxy-3-octoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride IUPAC Name: 8-hexyl-2,9,10-trimethoxy-3-octoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride Traditional Name: 8-hexyl-2,9,10-trimethoxy-3-octoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium chloride Formula: C34H48ClNO4 MolecularWeight: 570.20222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC(=C(C4=C3CCCCCC)OC)OC)OC.[Cl-]

Isomeric SMILES

CCCCCCCCOC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC(=C(C4=C3CCCCCC)OC)OC)OC.[Cl-]

InChI

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