9-oxidanylidene-1,3-bis(3-piperidin-1-ylpropyl)xanthene-2,7-dicarboxylate dihydrochloride

Systemtic Name: 9-oxidanylidene-1,3-bis(3-piperidin-1-ylpropyl)xanthene-2,7-dicarboxylate dihydrochloride Openeye Name: 9-oxo-1,3-bis[3-(1-piperidyl)propyl]xanthene-2,7-dicarboxylate dihydrochloride CAS Name: 9-oxo-1,3-bis[3-(1-piperidinyl)propyl]xanthene-2,7-dicarboxylate dihydrochloride IUPAC Name: 9-oxo-1,3-bis(3-piperidin-1-ylpropyl)xanthene-2,7-dicarboxylate dihydrochloride Traditional Name: 9-keto-1,3-bis(3-piperidinopropyl)xanthene-2,7-dicarboxylate dihydrochloride Formula: C31H38Cl2N2O6-2 MolecularWeight: 605.54922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCC2=CC3=C(C(=C2C(=O)[O-])CCCN4CCCCC4)C(=O)C5=C(O3)C=CC(=C5)C(=O)[O-].Cl.Cl

Isomeric SMILES

C1CCN(CC1)CCCC2=CC3=C(C(=C2C(=O)[O-])CCCN4CCCCC4)C(=O)C5=C(O3)C=CC(=C5)C(=O)[O-].Cl.Cl

InChI

InChI=1S/C31H38N2O6.2ClH/c34-29-24-19-22(30(35)36)11-12-25(24)39-26-20-21(9-7-17-32-13-3-1-4-14-32)27(31(37)38)23(28(26)29)10-8-18-33-15-5-2-6-16-33;;/h11-12,19-20H,1-10,13-18H2,(H,35,36)(H,37,38);2*1H/p-2