[4-(2-azanylquinolin-4-yl)-4-piperazin-1-yl-pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone trihydrochloride

Systemtic Name: [4-(2-azanylquinolin-4-yl)-4-piperazin-1-yl-pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone trihydrochloride Openeye Name: [4-(2-amino-4-quinolyl)-4-piperazin-1-yl-pyrrolidin-2-yl]-thiazolidin-3-yl-methanone trihydrochloride CAS Name: [4-(2-amino-4-quinolinyl)-4-(1-piperazinyl)-2-pyrrolidinyl]-(3-thiazolidinyl)methanone trihydrochloride IUPAC Name: [4-(2-aminoquinolin-4-yl)-4-piperazin-1-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone trihydrochloride Traditional Name: [4-(2-amino-4-quinolyl)-4-piperazino-pyrrolidin-2-yl]-thiazolidin-3-yl-methanone trihydrochloride Formula: C21H31Cl3N6OS MolecularWeight: 521.93444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6OS.3ClH/c22-19-11-16(15-3-1-2-4-17(15)25-19)21(27-7-5-23-6-8-27)12-18(24-13-21)20(28)26-9-10-29-14-26;;;/h1-4,11,18,23-24H,5-10,12-14H2,(H2,22,25);3*1H