9-[(4,5-dimethoxy-2-nitro-phenyl)methoxy]-13-ethyl-2-methoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3,10-diol

Systemtic Name: 9-[(4,5-dimethoxy-2-nitro-phenyl)methoxy]-13-ethyl-2-methoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3,10-diol Openeye Name: 9-[(4,5-dimethoxy-2-nitro-phenyl)methoxy]-13-ethyl-2-methoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3,10-diol CAS Name: 9-[(4,5-dimethoxy-2-nitrophenyl)methoxy]-13-ethyl-2-methoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3,10-diol IUPAC Name: 9-[(4,5-dimethoxy-2-nitrophenyl)methoxy]-13-ethyl-2-methoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3,10-diol Traditional Name: 9-(4,5-dimethoxy-2-nitro-benzyl)oxy-13-ethyl-2-methoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium-3,10-diol Formula: C29H29N2O8+ MolecularWeight: 533.54916

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)O)OC)OCC5=CC(=C(C=C5[N+](=O)[O-])OC)OC)O

Isomeric SMILES

CCC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)O)OC)OCC5=CC(=C(C=C5[N+](=O)[O-])OC)OC)O

InChI

InChI=1S/C29H28N2O8/c1-5-18-19-6-7-23(32)29(39-15-17-11-26(37-3)27(38-4)13-22(17)31(34)35)21(19)14-30-9-8-16-10-24(33)25(36-2)12-20(16)28(18)30/h6-7,10-14,32H,5,8-9,15H2,1-4H3/p+1