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6-(4-bromophenyl)-2-chloranyl-12,13-dimethoxy-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide
6-(4-bromophenyl)-2-chloranyl-12,13-dimethoxy-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide
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Canonical SMILES:
COC1=C(C=C2C(=C1)CC[N+]3=C2C4=C(C=CC(=C4)Cl)N=C(C3)C5=CC=C(C=C5)Br)OC.[Br-]
Isomeric SMILES
COC1=C(C=C2C(=C1)CC[N+]3=C2C4=C(C=CC(=C4)Cl)N=C(C3)C5=CC=C(C=C5)Br)OC.[Br-]
InChI
InChI=1S/C25H21BrClN2O2.BrH/c1-30-23-11-16-9-10-29-14-22(15-3-5-17(26)6-4-15)28-21-8-7-18(27)12-20(21)25(29)19(16)13-24(23)31-2;/h3-8,11-13H,9-10,14H2,1-2H3;1H/q+1;/p-1
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