4-[5-(4-piperazin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxylic acid dihydrochloride

Systemtic Name: 4-[5-(4-piperazin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxylic acid dihydrochloride Openeye Name: 4-[5-(4-piperazin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxylic acid dihydrochloride CAS Name: 4-[5-[4-(1-piperazinyl)phenyl]-1,3,4-thiadiazol-2-yl]-1-cyclohexanecarboxylic acid dihydrochloride IUPAC Name: 4-[5-(4-piperazin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxylic acid dihydrochloride Traditional Name: 4-[5-(4-piperazinophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxylic acid dihydrochloride Formula: C19H26Cl2N4O2S MolecularWeight: 445.40634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=NN=C(S2)C3=CC=C(C=C3)N4CCNCC4)C(=O)O.Cl.Cl

Isomeric SMILES

C1CC(CCC1C2=NN=C(S2)C3=CC=C(C=C3)N4CCNCC4)C(=O)O.Cl.Cl

InChI

InChI=1S/C19H24N4O2S.2ClH/c24-19(25)15-3-1-13(2-4-15)17-21-22-18(26-17)14-5-7-16(8-6-14)23-11-9-20-10-12-23;;/h5-8,13,15,20H,1-4,9-12H2,(H,24,25);2*1H