methyl 1-[2-[(1-piperidin-4-ylimidazol-4-yl)carbonylamino]ethyl]piperidine-4-carboxylate trihydrochloride

Systemtic Name: methyl 1-[2-[(1-piperidin-4-ylimidazol-4-yl)carbonylamino]ethyl]piperidine-4-carboxylate trihydrochloride Openeye Name: methyl 1-[2-[[1-(4-piperidyl)imidazole-4-carbonyl]amino]ethyl]piperidine-4-carboxylate trihydrochloride CAS Name: 1-[2-[[oxo-[1-(4-piperidinyl)-4-imidazolyl]methyl]amino]ethyl]-4-piperidinecarboxylic acid methyl ester trihydrochloride IUPAC Name: methyl 1-[2-[(1-piperidin-4-ylimidazole-4-carbonyl)amino]ethyl]piperidine-4-carboxylate trihydrochloride Traditional Name: 1-[2-[[1-(4-piperidyl)imidazole-4-carbonyl]amino]ethyl]isonipecotic acid methyl ester trihydrochloride Formula: C18H32Cl3N5O3 MolecularWeight: 472.83738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CCNC(=O)C2=CN(C=N2)C3CCNCC3.Cl.Cl.Cl

Isomeric SMILES

COC(=O)C1CCN(CC1)CCNC(=O)C2=CN(C=N2)C3CCNCC3.Cl.Cl.Cl

InChI

InChI=1S/C18H29N5O3.3ClH/c1-26-18(25)14-4-9-22(10-5-14)11-8-20-17(24)16-12-23(13-21-16)15-2-6-19-7-3-15;;;/h12-15,19H,2-11H2,1H3,(H,20,24);3*1H