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O1-[3-[(1R,2S)-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] O8-[3-[(1S,2R)-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] octanedioate
O1-[3-[(1R,2S)-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] O8-[3-[(1S,2R)-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] octanedioate
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Descriptors Computed from Structure
Canonical SMILES:
C[N+]1(CCC2=CC(=C(C=C2C1C3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CCCCCCC(=O)OCCC[N+]4(CCC5=CC(=C(C=C5C4C6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C
Isomeric SMILES
C[N@+]1(CCC2=CC(=C(C=C2[C@H]1C3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CCCCCCC(=O)OCCC[N@+]4(CCC5=CC(=C(C=C5[C@@H]4C6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C
InChI
InChI=1S/C56H78N2O14/c1-57(25-21-37-29-43(61-3)45(63-5)35-41(37)53(57)39-31-47(65-7)55(69-11)48(32-39)66-8)23-17-27-71-51(59)19-15-13-14-16-20-52(60)72-28-18-24-58(2)26-22-38-30-44(62-4)46(64-6)36-42(38)54(58)40-33-49(67-9)56(70-12)50(34-40)68-10/h29-36,53-54H,13-28H2,1-12H3/q+2/t53-,54+,57-,58+
Other Product
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- 2-oxidanylidene-3-sulfanyl-propanoic acid
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- 2-azanyl-3-oxidanyl-benzoic acid
- 3-(3-hydroxyphenyl)propanoic acid
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