methyl 4-[5-(4-piperidin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxylate hydrochloride

Systemtic Name: methyl 4-[5-(4-piperidin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxylate hydrochloride Openeye Name: methyl 4-[5-[4-(4-piperidyl)phenyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxylate hydrochloride CAS Name: 4-[5-[4-(4-piperidinyl)phenyl]-1,3,4-thiadiazol-2-yl]-1-cyclohexanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-[5-(4-piperidin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-[5-[4-(4-piperidyl)phenyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxylic acid methyl ester hydrochloride Formula: C21H28ClN3O2S MolecularWeight: 421.98392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)C2=NN=C(S2)C3=CC=C(C=C3)C4CCNCC4.Cl

Isomeric SMILES

COC(=O)C1CCC(CC1)C2=NN=C(S2)C3=CC=C(C=C3)C4CCNCC4.Cl

InChI

InChI=1S/C21H27N3O2S.ClH/c1-26-21(25)18-8-6-17(7-9-18)20-24-23-19(27-20)16-4-2-14(3-5-16)15-10-12-22-13-11-15;/h2-5,15,17-18,22H,6-13H2,1H3;1H