propanoyl 2-methyl-3-piperidin-4-yl-2-(4-pyridin-4-ylpiperazin-1-yl)propanoate dihydrochloride

Systemtic Name: propanoyl 2-methyl-3-piperidin-4-yl-2-(4-pyridin-4-ylpiperazin-1-yl)propanoate dihydrochloride Openeye Name: propanoyl 2-methyl-3-(4-piperidyl)-2-[4-(4-pyridyl)piperazin-1-yl]propanoate dihydrochloride CAS Name: 2-methyl-3-(4-piperidinyl)-2-(4-pyridin-4-yl-1-piperazinyl)propanoic acid 1-oxopropyl ester dihydrochloride IUPAC Name: propanoyl 2-methyl-3-piperidin-4-yl-2-(4-pyridin-4-ylpiperazin-1-yl)propanoate dihydrochloride Traditional Name: 2-methyl-3-(4-piperidyl)-2-[4-(4-pyridyl)piperazino]propionic acid propionyl ester dihydrochloride Formula: C21H34Cl2N4O3 MolecularWeight: 461.42566

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(=O)C(C)(CC1CCNCC1)N2CCN(CC2)C3=CC=NC=C3.Cl.Cl

Isomeric SMILES

CCC(=O)OC(=O)C(C)(CC1CCNCC1)N2CCN(CC2)C3=CC=NC=C3.Cl.Cl

InChI

InChI=1S/C21H32N4O3.2ClH/c1-3-19(26)28-20(27)21(2,16-17-4-8-22-9-5-17)25-14-12-24(13-15-25)18-6-10-23-11-7-18;;/h6-7,10-11,17,22H,3-5,8-9,12-16H2,1-2H3;2*1H