3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]-N-[5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyl-methyl-amino]-2,2,3,3,4,4-hexakis(fluoranyl)pentyl]-N-methyl-propanamide

Systemtic Name: 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]-N-[5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyl-methyl-amino]-2,2,3,3,4,4-hexakis(fluoranyl)pentyl]-N-methyl-propanamide Openeye Name: 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]-N-[5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyl-methyl-amino]-2,2,3,3,4,4-hexafluoro-pentyl]-N-methyl-propanamide CAS Name: 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]-N-[5-[[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]-1-oxopropyl]-methylamino]-2,2,3,3,4,4-hexafluoropentyl]-N-methylpropanamide IUPAC Name: 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]-N-[5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyl-methylamino]-2,2,3,3,4,4-hexafluoropentyl]-N-methylpropanamide Traditional Name: 3-[6,7-dimethoxy-2-(trideuteriomethyl)-1-veratryl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]-N-[5-[3-[6,7-dimethoxy-2-(trideuteriomethyl)-1-veratryl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyl-methyl-amino]-2,2,3,3,4,4-hexafluoro-pentyl]-N-methyl-propionamide Formula: C55H72F6N4O10+2 MolecularWeight: 1069.20837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C([2H])([2H])[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)N(C)CC(C(C(CN(C)C(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C([2H])([2H])[2H])(F)F)(F)F)(F)F

InChI

InChI=1S/C55H72F6N4O10/c1-62(51(66)19-23-64(3)21-17-37-29-47(72-9)49(74-11)31-39(37)41(64)25-35-13-15-43(68-5)45(27-35)70-7)33-53(56,57)55(60,61)54(58,59)34-63(2)52(67)20-24-65(4)22-18-38-30-48(73-10)50(75-12)32-40(38)42(65)26-36-14-16-44(69-6)46(28-36)71-8/h13-16,27-32,41-42H,17-26,33-34H2,1-12H3/q+2/i3D3,4D3