7-[2-acetyloxy-3-[6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyl]oxyheptyl 2-acetyloxy-3-[6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate

Systemtic Name: 7-[2-acetyloxy-3-[6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyl]oxyheptyl 2-acetyloxy-3-[6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate Openeye Name: 7-[2-acetoxy-3-[6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyl]oxyheptyl 2-acetoxy-3-[6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate CAS Name: 2-acetyloxy-3-[6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoic acid 7-[2-acetyloxy-3-[6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]-1-oxopropoxy]heptyl ester IUPAC Name: 7-[2-acetyloxy-3-[6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyl]oxyheptyl 2-acetyloxy-3-[6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate Traditional Name: 2-acetoxy-3-[6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propionic acid 7-[2-acetoxy-3-[6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyl]oxyheptyl ester Formula: C61H84N2O18+2 MolecularWeight: 1133.32226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)C)C(=O)OCCCCCCCOC(=O)C(C[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C)OC(=O)C

Isomeric SMILES

CC(=O)OC(C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)C)C(=O)OCCCCCCCOC(=O)C(C[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C)OC(=O)C

InChI

InChI=1S/C61H84N2O18/c1-38(64)80-56(36-62(3)22-20-42-32-48(68-5)50(70-7)34-44(42)46(62)26-40-28-52(72-9)58(76-13)53(29-40)73-10)60(66)78-24-18-16-15-17-19-25-79-61(67)57(81-39(2)65)37-63(4)23-21-43-33-49(69-6)51(71-8)35-45(43)47(63)27-41-30-54(74-11)59(77-14)55(31-41)75-12/h28-35,46-47,56-57H,15-27,36-37H2,1-14H3/q+2