1,4-bis[6-(3,4,5-trimethoxyphenyl)pyridin-3-yl]piperazine; methanesulfonic acid

Systemtic Name: 1,4-bis[6-(3,4,5-trimethoxyphenyl)pyridin-3-yl]piperazine; methanesulfonic acid Openeye Name: 1,4-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridyl]piperazine; methanesulfonic acid CAS Name: 1,4-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]piperazine; methanesulfonic acid IUPAC Name: 1,4-bis[6-(3,4,5-trimethoxyphenyl)pyridin-3-yl]piperazine; methanesulfonic acid Traditional Name: 1,4-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridyl]piperazine; mesylic acid Formula: C34H44N4O12S2 MolecularWeight: 764.86276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC=C(C=C2)N3CCN(CC3)C4=CN=C(C=C4)C5=CC(=C(C(=C5)OC)OC)OC.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC=C(C=C2)N3CCN(CC3)C4=CN=C(C=C4)C5=CC(=C(C(=C5)OC)OC)OC.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C32H36N4O6.2CH4O3S/c1-37-27-15-21(16-28(38-2)31(27)41-5)25-9-7-23(19-33-25)35-11-13-36(14-12-35)24-8-10-26(34-20-24)22-17-29(39-3)32(42-6)30(18-22)40-4;2*1-5(2,3)4/h7-10,15-20H,11-14H2,1-6H3;2*1H3,(H,2,3,4)