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[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]-1-[5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]-2-(phenylcarbonyloxy)propanoyl]oxypentoxy]-1-oxidanylidene-propan-2-yl] benzoate diiodide
[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]-1-[5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]-2-(phenylcarbonyloxy)propanoyl]oxypentoxy]-1-oxidanylidene-propan-2-yl] benzoate diiodide
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Descriptors Computed from Structure
Canonical SMILES:
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CC(C(=O)OCCCCCOC(=O)C(C[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8.[I-].[I-]
Isomeric SMILES
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CC(C(=O)OCCCCCOC(=O)C(C[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8.[I-].[I-]
InChI
InChI=1S/C67H80N2O16.2HI/c1-68(30-28-48-38-58(78-7)60(80-9)40-50(48)52(68)34-44-24-26-54(74-3)56(36-44)76-5)42-62(84-64(70)46-20-14-11-15-21-46)66(72)82-32-18-13-19-33-83-67(73)63(85-65(71)47-22-16-12-17-23-47)43-69(2)31-29-49-39-59(79-8)61(81-10)41-51(49)53(69)35-45-25-27-55(75-4)57(37-45)77-6;;/h11-12,14-17,20-27,36-41,52-53,62-63H,13,18-19,28-35,42-43H2,1-10H3;2*1H/q+2;;/p-2
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