9-[(6-chloranylpyridin-3-yl)methoxy]-2,3,10-triethoxy-13-ethyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride

Systemtic Name: 9-[(6-chloranylpyridin-3-yl)methoxy]-2,3,10-triethoxy-13-ethyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride Openeye Name: 9-[(6-chloro-3-pyridyl)methoxy]-2,3,10-triethoxy-13-ethyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride CAS Name: 9-[(6-chloro-3-pyridinyl)methoxy]-2,3,10-triethoxy-13-ethyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride IUPAC Name: 9-[(6-chloropyridin-3-yl)methoxy]-2,3,10-triethoxy-13-ethyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride Traditional Name: 9-[(6-chloro-3-pyridyl)methoxy]-2,3,10-triethoxy-13-ethyl-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium chloride Formula: C31H34Cl2N2O4 MolecularWeight: 569.51866

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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)OCC5=CN=C(C=C5)Cl)OCC.[Cl-]

Isomeric SMILES

CCC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OCC)OCC)OCC5=CN=C(C=C5)Cl)OCC.[Cl-]

InChI

InChI=1S/C31H34ClN2O4.ClH/c1-5-22-23-10-11-26(35-6-2)31(38-19-20-9-12-29(32)33-17-20)25(23)18-34-14-13-21-15-27(36-7-3)28(37-8-4)16-24(21)30(22)34;/h9-12,15-18H,5-8,13-14,19H2,1-4H3;1H/q+1;/p-1