1-[1-ethyl-4,5-dimethoxy-4-(2-methoxyphenyl)-2-phenyl-piperazin-4-ium-2-yl]-2-pyridin-2-yl-ethanone dihydrate dihydrochloride

Systemtic Name: 1-[1-ethyl-4,5-dimethoxy-4-(2-methoxyphenyl)-2-phenyl-piperazin-4-ium-2-yl]-2-pyridin-2-yl-ethanone dihydrate dihydrochloride Openeye Name: 1-[1-ethyl-4,5-dimethoxy-4-(2-methoxyphenyl)-2-phenyl-piperazin-4-ium-2-yl]-2-(2-pyridyl)ethanone dihydrate dihydrochloride CAS Name: 1-[1-ethyl-4,5-dimethoxy-4-(2-methoxyphenyl)-2-phenyl-2-piperazin-4-iumyl]-2-(2-pyridinyl)ethanone dihydrate dihydrochloride IUPAC Name: 1-[1-ethyl-4,5-dimethoxy-4-(2-methoxyphenyl)-2-phenylpiperazin-4-ium-2-yl]-2-pyridin-2-ylethanone dihydrate dihydrochloride Traditional Name: 1-[1-ethyl-4,5-dimethoxy-4-(2-methoxyphenyl)-2-phenyl-piperazin-4-ium-2-yl]-2-(2-pyridyl)ethanone dihydrate dihydrochloride Formula: C28H40Cl2N3O6+ MolecularWeight: 585.5397

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC([N+](CC1(C2=CC=CC=C2)C(=O)CC3=CC=CC=N3)(C4=CC=CC=C4OC)OC)OC.O.O.Cl.Cl

Isomeric SMILES

CCN1CC([N+](CC1(C2=CC=CC=C2)C(=O)CC3=CC=CC=N3)(C4=CC=CC=C4OC)OC)OC.O.O.Cl.Cl

InChI

InChI=1S/C28H34N3O4.2ClH.2H2O/c1-5-30-20-27(34-3)31(35-4,24-16-9-10-17-25(24)33-2)21-28(30,22-13-7-6-8-14-22)26(32)19-23-15-11-12-18-29-23;;;;/h6-18,27H,5,19-21H2,1-4H3;2*1H;2*1H2/q+1;;;;