methyl 3-[4-[(1-piperidin-4-ylimidazol-4-yl)carbamoyl]piperidin-1-yl]propanoate trihydrochloride

Systemtic Name: methyl 3-[4-[(1-piperidin-4-ylimidazol-4-yl)carbamoyl]piperidin-1-yl]propanoate trihydrochloride Openeye Name: methyl 3-[4-[[1-(4-piperidyl)imidazol-4-yl]carbamoyl]-1-piperidyl]propanoate trihydrochloride CAS Name: 3-[4-[oxo-[[1-(4-piperidinyl)-4-imidazolyl]amino]methyl]-1-piperidinyl]propanoic acid methyl ester trihydrochloride IUPAC Name: methyl 3-[4-[(1-piperidin-4-ylimidazol-4-yl)carbamoyl]piperidin-1-yl]propanoate trihydrochloride Traditional Name: 3-[4-[[1-(4-piperidyl)imidazol-4-yl]carbamoyl]piperidino]propionic acid methyl ester trihydrochloride Formula: C18H32Cl3N5O3 MolecularWeight: 472.83738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCC(CC1)C(=O)NC2=CN(C=N2)C3CCNCC3.Cl.Cl.Cl

Isomeric SMILES

COC(=O)CCN1CCC(CC1)C(=O)NC2=CN(C=N2)C3CCNCC3.Cl.Cl.Cl

InChI

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