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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OCC)OCC)OCC)OCC.[Cl-]

Isomeric SMILES

CCC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OCC)OCC)OCC)OCC.[Cl-]

InChI

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