1,3-bis(3-piperidin-1-ylpropyl)dibenzofuran-2,8-dicarboxylate hydrate dihydrochloride

Systemtic Name: 1,3-bis(3-piperidin-1-ylpropyl)dibenzofuran-2,8-dicarboxylate hydrate dihydrochloride Openeye Name: 1,3-bis[3-(1-piperidyl)propyl]dibenzofuran-2,8-dicarboxylate hydrate dihydrochloride CAS Name: 1,3-bis[3-(1-piperidinyl)propyl]dibenzofuran-2,8-dicarboxylate hydrate dihydrochloride IUPAC Name: 1,3-bis(3-piperidin-1-ylpropyl)dibenzofuran-2,8-dicarboxylate hydrate dihydrochloride Traditional Name: 1,3-bis(3-piperidinopropyl)dibenzofuran-2,8-dicarboxylate hydrate dihydrochloride Formula: C30H40Cl2N2O6-2 MolecularWeight: 595.5544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCC2=CC3=C(C4=C(O3)C=CC(=C4)C(=O)[O-])C(=C2C(=O)[O-])CCCN5CCCCC5.O.Cl.Cl

Isomeric SMILES

C1CCN(CC1)CCCC2=CC3=C(C4=C(O3)C=CC(=C4)C(=O)[O-])C(=C2C(=O)[O-])CCCN5CCCCC5.O.Cl.Cl

InChI

InChI=1S/C30H38N2O5.2ClH.H2O/c33-29(34)22-11-12-25-24(19-22)28-23(10-8-18-32-15-5-2-6-16-32)27(30(35)36)21(20-26(28)37-25)9-7-17-31-13-3-1-4-14-31;;;/h11-12,19-20H,1-10,13-18H2,(H,33,34)(H,35,36);2*1H;1H2/p-2