O4-[3-[(1S)-6,7-dimethoxy-1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propyl] 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] (Z)-2-chloranylbut-2-enedioate dichloride

Systemtic Name: O4-[3-[(1S)-6,7-dimethoxy-1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propyl] 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] (Z)-2-chloranylbut-2-enedioate dichloride Openeye Name: O4-[3-[(1S)-6,7-dimethoxy-1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propyl] 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] (Z)-2-chlorobut-2-enedioate dichloride CAS Name: (Z)-2-chloro-2-butenedioic acid O4-[3-[(1S)-6,7-dimethoxy-1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propyl] ester 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 dichloride IUPAC Name: 4-O-[3-[(1S)-6,7-dimethoxy-1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propyl] 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] (Z)-2-chlorobut-2-enedioate dichloride Traditional Name: (Z)-2-chlorobut-2-enedioic acid O4-[3-[(1S)-6,7-dimethoxy-1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propyl] ester 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 dichloride Formula: C50H63Cl3N2O12 MolecularWeight: 990.40042

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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)C(=CC(=O)OCCC[NH+]4CCC5=CC(=C(C=C5C4C6=CC=C(C=C6)OC)OC)OC)Cl.[Cl-].[Cl-]

Isomeric SMILES

C[N@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)/C(=C/C(=O)OCCC[NH+]4CCC5=CC(=C(C=C5[C@@H]4C6=CC=C(C=C6)OC)OC)OC)/Cl.[Cl-].[Cl-]

InChI

InChI=1S/C50H62ClN2O12.2ClH/c1-53(21-17-35-28-42(58-4)43(59-5)29-37(35)40(53)24-32-25-45(61-7)49(63-9)46(26-32)62-8)20-11-23-65-50(55)39(51)31-47(54)64-22-10-18-52-19-16-34-27-41(57-3)44(60-6)30-38(34)48(52)33-12-14-36(56-2)15-13-33;;/h12-15,25-31,40,48H,10-11,16-24H2,1-9H3;2*1H/q+1;;/p-1/b39-31-;;/t40-,48+,53-;;/m1../s1