6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]quinoline trihydrochloride

Systemtic Name: 6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]quinoline trihydrochloride Openeye Name: 6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]quinoline trihydrochloride CAS Name: 6-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butoxy]quinoline trihydrochloride IUPAC Name: 6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]quinoline trihydrochloride Traditional Name: 6-[4-[4-(2-pyrimidyl)piperazino]butoxy]quinoline trihydrochloride Formula: C21H28Cl3N5O MolecularWeight: 472.83892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCOC2=CC3=C(C=C2)N=CC=C3)C4=NC=CC=N4.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCCOC2=CC3=C(C=C2)N=CC=C3)C4=NC=CC=N4.Cl.Cl.Cl

InChI

InChI=1S/C21H25N5O.3ClH/c1(2-16-27-19-6-7-20-18(17-19)5-3-8-22-20)11-25-12-14-26(15-13-25)21-23-9-4-10-24-21;;;/h3-10,17H,1-2,11-16H2;3*1H