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

Systemtic Name: 8-butyl-2,9,10-trimethoxy-3-octoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride Openeye Name: 8-butyl-2,9,10-trimethoxy-3-octoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride CAS Name: 8-butyl-2,9,10-trimethoxy-3-octoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride IUPAC Name: 8-butyl-2,9,10-trimethoxy-3-octoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride Traditional Name: 8-butyl-2,9,10-trimethoxy-3-octoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium chloride Formula: C32H44ClNO4 MolecularWeight: 542.14906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC(=C(C4=C3CCCC)OC)OC)OC.[Cl-]

Isomeric SMILES

CCCCCCCCOC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC(=C(C4=C3CCCC)OC)OC)OC.[Cl-]

InChI

InChI=1S/C32H44NO4.ClH/c1-6-8-10-11-12-13-19-37-30-21-23-17-18-33-26(14-9-7-2)31-24(15-16-28(34-3)32(31)36-5)20-27(33)25(23)22-29(30)35-4;/h15-16,20-22H,6-14,17-19H2,1-5H3;1H/q+1;/p-1