bis(1-piperidin-1-ylpropyl) benzene-1,4-dicarboxylate; methane; hydrochloride

Systemtic Name: bis(1-piperidin-1-ylpropyl) benzene-1,4-dicarboxylate; methane; hydrochloride Openeye Name: bis[1-(1-piperidyl)propyl] benzene-1,4-dicarboxylate; methane; hydrochloride CAS Name: benzene-1,4-dicarboxylic acid bis[1-(1-piperidinyl)propyl] ester; methane; hydrochloride IUPAC Name: bis(1-piperidin-1-ylpropyl) benzene-1,4-dicarboxylate; methane; hydrochloride Traditional Name: benzene-1,4-dicarboxylic acid bis(1-piperidinopropyl) ester; methane; hydrochloride Formula: C25H41ClN2O4 MolecularWeight: 469.05704

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Descriptors Computed from Structure

Canonical SMILES:

C.CCC(N1CCCCC1)OC(=O)C2=CC=C(C=C2)C(=O)OC(CC)N3CCCCC3.Cl

Isomeric SMILES

C.CCC(N1CCCCC1)OC(=O)C2=CC=C(C=C2)C(=O)OC(CC)N3CCCCC3.Cl

InChI

InChI=1S/C24H36N2O4.CH4.ClH/c1-3-21(25-15-7-5-8-16-25)29-23(27)19-11-13-20(14-12-19)24(28)30-22(4-2)26-17-9-6-10-18-26;;/h11-14,21-22H,3-10,15-18H2,1-2H3;1H4;1H