4-[3-piperazin-1-yl-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]quinoline-2-carboxamide trihydrochloride

Systemtic Name: 4-[3-piperazin-1-yl-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]quinoline-2-carboxamide trihydrochloride Openeye Name: 4-[3-piperazin-1-yl-5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]quinoline-2-carboxamide trihydrochloride CAS Name: 4-[5-[oxo(3-thiazolidinyl)methyl]-3-(1-piperazinyl)-3-pyrrolidinyl]-2-quinolinecarboxamide trihydrochloride IUPAC Name: 4-[3-piperazin-1-yl-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]quinoline-2-carboxamide trihydrochloride Traditional Name: 4-[3-piperazino-5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]quinaldamide trihydrochloride Formula: C22H31Cl3N6O2S MolecularWeight: 549.94454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2(CC(NC2)C(=O)N3CCSC3)C4=CC(=NC5=CC=CC=C54)C(=O)N.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1)C2(CC(NC2)C(=O)N3CCSC3)C4=CC(=NC5=CC=CC=C54)C(=O)N.Cl.Cl.Cl

InChI

InChI=1S/C22H28N6O2S.3ClH/c23-20(29)18-11-16(15-3-1-2-4-17(15)26-18)22(28-7-5-24-6-8-28)12-19(25-13-22)21(30)27-9-10-31-14-27;;;/h1-4,11,19,24-25H,5-10,12-14H2,(H2,23,29);3*1H