4-(4-cyclohexylpiperazin-4-ium-1-yl)-4-oxidanylidene-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide

Systemtic Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-4-oxidanylidene-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide Openeye Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide CAS Name: 4-(4-cyclohexyl-1-piperazin-4-iumyl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide IUPAC Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide Traditional Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-4-keto-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butyramide Formula: C17H25F3N5O2S+ MolecularWeight: 420.47291

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)CCC(=O)NC3=NN=C(S3)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)CCC(=O)NC3=NN=C(S3)C(F)(F)F

InChI

InChI=1S/C17H24F3N5O2S/c18-17(19,20)15-22-23-16(28-15)21-13(26)6-7-14(27)25-10-8-24(9-11-25)12-4-2-1-3-5-12/h12H,1-11H2,(H,21,23,26)/p+1