basic_info |
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Product_Name: | ISOQUINOLINIUM, 2,2'-[1,5-PENTANEDIYLBIS[OXY(3-OXO-3,1-PROPANEDIYL)]]BIS[1-[(3,4-DIMETHOXYPHENYL)METHYL]]-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-, (1S,1'S,2S,2'S)- |
CAS: | 96946-55-3 |
EnglishSynonyms: | ISOQUINOLINIUM, 2,2'-[1,5-PENTANEDIYLBIS[OXY(3-OXO-3,1-PROPANEDIYL)]]BIS[1-[(3,4-DIMETHOXYPHENYL)METHYL]]-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-, (1S,1'S,2S,2'S)- |
pro_mdlNumber: | MFCD21608630 |
pro_acceptors: | 14 |
pro_donors: | 0 |
pro_smile: | C[N+]1(CCc2cc(c(cc2[C@@H]1Cc3ccc(c(c3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCc5cc(c(cc5[C@@H]4Cc6ccc(c(c6)OC)OC)OC)OC)C |
InChi: | InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2/t42-,43-,54?,55?/m0/s1 |
InChiKey: | InChIKey=YXSLJKQTIDHPOT-IOHISSJDSA-N |
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