1-[2-[(1-piperidin-4-ylimidazol-4-yl)carbonylamino]ethyl]piperidine-4-carboxylic acid trihydrochloride

Systemtic Name: 1-[2-[(1-piperidin-4-ylimidazol-4-yl)carbonylamino]ethyl]piperidine-4-carboxylic acid trihydrochloride Openeye Name: 1-[2-[[1-(4-piperidyl)imidazole-4-carbonyl]amino]ethyl]piperidine-4-carboxylic acid trihydrochloride CAS Name: 1-[2-[[oxo-[1-(4-piperidinyl)-4-imidazolyl]methyl]amino]ethyl]-4-piperidinecarboxylic acid trihydrochloride IUPAC Name: 1-[2-[(1-piperidin-4-ylimidazole-4-carbonyl)amino]ethyl]piperidine-4-carboxylic acid trihydrochloride Traditional Name: 1-[2-[[1-(4-piperidyl)imidazole-4-carbonyl]amino]ethyl]isonipecotic acid trihydrochloride Formula: C17H30Cl3N5O3 MolecularWeight: 458.8108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2C=C(N=C2)C(=O)NCCN3CCC(CC3)C(=O)O.Cl.Cl.Cl

Isomeric SMILES

C1CNCCC1N2C=C(N=C2)C(=O)NCCN3CCC(CC3)C(=O)O.Cl.Cl.Cl

InChI

InChI=1S/C17H27N5O3.3ClH/c23-16(15-11-22(12-20-15)14-1-5-18-6-2-14)19-7-10-21-8-3-13(4-9-21)17(24)25;;;/h11-14,18H,1-10H2,(H,19,23)(H,24,25);3*1H