[3-[3-(4-propylpiperazin-1-yl)propanoyl]phenyl] benzoate dihydrochloride

Systemtic Name: [3-[3-(4-propylpiperazin-1-yl)propanoyl]phenyl] benzoate dihydrochloride Openeye Name: [3-[3-(4-propylpiperazin-1-yl)propanoyl]phenyl] benzoate dihydrochloride CAS Name: benzoic acid [3-[1-oxo-3-(4-propyl-1-piperazinyl)propyl]phenyl] ester dihydrochloride IUPAC Name: [3-[3-(4-propylpiperazin-1-yl)propanoyl]phenyl] benzoate dihydrochloride Traditional Name: benzoic acid [3-[3-(4-propylpiperazino)propanoyl]phenyl] ester dihydrochloride Formula: C23H30Cl2N2O3 MolecularWeight: 453.4019

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)CCC(=O)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CCCN1CCN(CC1)CCC(=O)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C23H28N2O3.2ClH/c1-2-12-24-14-16-25(17-15-24)13-11-22(26)20-9-6-10-21(18-20)28-23(27)19-7-4-3-5-8-19;;/h3-10,18H,2,11-17H2,1H3;2*1H