methyl 3-(4-pyridin-4-ylpiperazin-1-yl)propanoate dihydrochloride

Systemtic Name: methyl 3-(4-pyridin-4-ylpiperazin-1-yl)propanoate dihydrochloride Openeye Name: methyl 3-[4-(4-pyridyl)piperazin-1-yl]propanoate dihydrochloride CAS Name: 3-(4-pyridin-4-yl-1-piperazinyl)propanoic acid methyl ester dihydrochloride IUPAC Name: methyl 3-(4-pyridin-4-ylpiperazin-1-yl)propanoate dihydrochloride Traditional Name: 3-[4-(4-pyridyl)piperazino]propionic acid methyl ester dihydrochloride Formula: C13H21Cl2N3O2 MolecularWeight: 322.23074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCN(CC1)C2=CC=NC=C2.Cl.Cl

Isomeric SMILES

COC(=O)CCN1CCN(CC1)C2=CC=NC=C2.Cl.Cl

InChI

InChI=1S/C13H19N3O2.2ClH/c1-18-13(17)4-7-15-8-10-16(11-9-15)12-2-5-14-6-3-12;;/h2-3,5-6H,4,7-11H2,1H3;2*1H