2-piperidin-1-yl-2-[(4-pyridin-4-ylpiperazin-1-yl)carbonylamino]propanoic acid dihydrochloride

Systemtic Name: 2-piperidin-1-yl-2-[(4-pyridin-4-ylpiperazin-1-yl)carbonylamino]propanoic acid dihydrochloride Openeye Name: 2-(1-piperidyl)-2-[[4-(4-pyridyl)piperazine-1-carbonyl]amino]propanoic acid dihydrochloride CAS Name: 2-[[oxo-(4-pyridin-4-yl-1-piperazinyl)methyl]amino]-2-(1-piperidinyl)propanoic acid dihydrochloride IUPAC Name: 2-piperidin-1-yl-2-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]propanoic acid dihydrochloride Traditional Name: 2-piperidino-2-[[4-(4-pyridyl)piperazine-1-carbonyl]amino]propionic acid dihydrochloride Formula: C18H29Cl2N5O3 MolecularWeight: 434.36056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)(NC(=O)N1CCN(CC1)C2=CC=NC=C2)N3CCCCC3.Cl.Cl

Isomeric SMILES

CC(C(=O)O)(NC(=O)N1CCN(CC1)C2=CC=NC=C2)N3CCCCC3.Cl.Cl

InChI

InChI=1S/C18H27N5O3.2ClH/c1-18(16(24)25,23-9-3-2-4-10-23)20-17(26)22-13-11-21(12-14-22)15-5-7-19-8-6-15;;/h5-8H,2-4,9-14H2,1H3,(H,20,26)(H,24,25);2*1H