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O1-[3-[(1R,2S)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] O7-[3-[(1S,2R)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] heptanedioate

O1-[3-[(1R,2S)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] O7-[3-[(1S,2R)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] heptanedioate

Systemtic Name:O1-[3-[(1R,2S)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] O7-[3-[(1S,2R)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] heptanedioate
Openeye Name:O1-[3-[(1R,2S)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] O7-[3-[(1S,2R)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] heptanedioate
CAS Name:heptanedioic acid O1-[3-[(1R,2S)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] ester O7-[3-[(1S,2R)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] ester
IUPAC Name:1-O-[3-[(1R,2S)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] 7-O-[3-[(1S,2R)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] heptanedioate
Traditional Name:pimelic acid O1-[3-[(1R,2S)-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] ester O7-[3-[(1S,2R)-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] ester
Formula: C57H80N2O14+2
MolecularWeight: 1017.2501
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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)OC)CCCOC(=O)CCCCCC(=O)OCCC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C


Isomeric SMILES

C[N@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CCCCCC(=O)OCCC[N@+]4(CCC5=CC(=C(C=C5[C@@H]4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C


InChI

InChI=1S/C57H80N2O14/c1-58(24-20-40-34-46(62-3)48(64-5)36-42(40)44(58)28-38-30-50(66-7)56(70-11)51(31-38)67-8)22-16-26-72-54(60)18-14-13-15-19-55(61)73-27-17-23-59(2)25-21-41-35-47(63-4)49(65-6)37-43(41)45(59)29-39-32-52(68-9)57(71-12)53(33-39)69-10/h30-37,44-45H,13-29H2,1-12H3/q+2/t44-,45+,58-,59+


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