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

Systemtic Name: [4-(4-bromanylisoquinolin-1-yl)-4-piperazin-1-yl-pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone trihydrochloride Openeye Name: [4-(4-bromo-1-isoquinolyl)-4-piperazin-1-yl-pyrrolidin-2-yl]-thiazolidin-3-yl-methanone trihydrochloride CAS Name: [4-(4-bromo-1-isoquinolinyl)-4-(1-piperazinyl)-2-pyrrolidinyl]-(3-thiazolidinyl)methanone trihydrochloride IUPAC Name: [4-(4-bromoisoquinolin-1-yl)-4-piperazin-1-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone trihydrochloride Traditional Name: [4-(4-bromo-1-isoquinolyl)-4-piperazino-pyrrolidin-2-yl]-thiazolidin-3-yl-methanone trihydrochloride Formula: C21H29BrCl3N5OS MolecularWeight: 585.81586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2(CC(NC2)C(=O)N3CCSC3)C4=NC=C(C5=CC=CC=C54)Br.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1)C2(CC(NC2)C(=O)N3CCSC3)C4=NC=C(C5=CC=CC=C54)Br.Cl.Cl.Cl

InChI

InChI=1S/C21H26BrN5OS.3ClH/c22-17-12-24-19(16-4-2-1-3-15(16)17)21(27-7-5-23-6-8-27)11-18(25-13-21)20(28)26-9-10-29-14-26;;;/h1-4,12,18,23,25H,5-11,13-14H2;3*1H