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

Systemtic Name: 4-[4-[5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]piperazin-1-yl]quinoline-2-carbonitrile trihydrochloride Openeye Name: 4-[4-[5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]quinoline-2-carbonitrile trihydrochloride CAS Name: 4-[4-[5-[oxo(3-thiazolidinyl)methyl]-3-pyrrolidinyl]-1-piperazinyl]-2-quinolinecarbonitrile trihydrochloride IUPAC Name: 4-[4-[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]quinoline-2-carbonitrile trihydrochloride Traditional Name: 4-[4-[5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazino]quinaldonitrile trihydrochloride Formula: C22H29Cl3N6OS MolecularWeight: 531.92926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2CC(NC2)C(=O)N3CCSC3)C4=CC(=NC5=CC=CC=C54)C#N.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1C2CC(NC2)C(=O)N3CCSC3)C4=CC(=NC5=CC=CC=C54)C#N.Cl.Cl.Cl

InChI

InChI=1S/C22H26N6OS.3ClH/c23-13-16-11-21(18-3-1-2-4-19(18)25-16)27-7-5-26(6-8-27)17-12-20(24-14-17)22(29)28-9-10-30-15-28;;;/h1-4,11,17,20,24H,5-10,12,14-15H2;3*1H