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

Systemtic Name: 13-ethyl-2,3,10-trimethoxy-9-[(5-methyl-2-nitro-phenyl)methoxy]-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium Openeye Name: 13-ethyl-2,3,10-trimethoxy-9-[(5-methyl-2-nitro-phenyl)methoxy]-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium CAS Name: 13-ethyl-2,3,10-trimethoxy-9-[(5-methyl-2-nitrophenyl)methoxy]-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium IUPAC Name: 13-ethyl-2,3,10-trimethoxy-9-[(5-methyl-2-nitrophenyl)methoxy]-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium Traditional Name: 13-ethyl-2,3,10-trimethoxy-9-(5-methyl-2-nitro-benzyl)oxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium Formula: C30H31N2O6+ MolecularWeight: 515.57694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H31N2O6/c1-6-21-22-8-10-26(35-3)30(38-17-20-13-18(2)7-9-25(20)32(33)34)24(22)16-31-12-11-19-14-27(36-4)28(37-5)15-23(19)29(21)31/h7-10,13-16H,6,11-12,17H2,1-5H3/q+1