5-chloranyl-6-[3-piperazin-1-yl-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]pyridine-3-carboxylic acid trihydrochloride

Systemtic Name: 5-chloranyl-6-[3-piperazin-1-yl-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]pyridine-3-carboxylic acid trihydrochloride Openeye Name: 5-chloro-6-[3-piperazin-1-yl-5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxylic acid trihydrochloride CAS Name: 5-chloro-6-[5-[oxo(3-thiazolidinyl)methyl]-3-(1-piperazinyl)-3-pyrrolidinyl]-3-pyridinecarboxylic acid trihydrochloride IUPAC Name: 5-chloro-6-[3-piperazin-1-yl-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxylic acid trihydrochloride Traditional Name: 5-chloro-6-[3-piperazino-5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]nicotinic acid trihydrochloride Formula: C18H27Cl4N5O3S MolecularWeight: 535.31568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2(CC(NC2)C(=O)N3CCSC3)C4=C(C=C(C=N4)C(=O)O)Cl.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1)C2(CC(NC2)C(=O)N3CCSC3)C4=C(C=C(C=N4)C(=O)O)Cl.Cl.Cl.Cl

InChI

InChI=1S/C18H24ClN5O3S.3ClH/c19-13-7-12(17(26)27)9-21-15(13)18(24-3-1-20-2-4-24)8-14(22-10-18)16(25)23-5-6-28-11-23;;;/h7,9,14,20,22H,1-6,8,10-11H2,(H,26,27);3*1H