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

Systemtic Name: 4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide Openeye Name: 4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide CAS Name: 4-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide IUPAC Name: 4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide Traditional Name: 4-keto-4-(4-pyridin-1-ium-2-ylpiperazino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butyramide Formula: C16H18F3N6O2S+ MolecularWeight: 415.41333

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC(=O)NC3=NN=C(S3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC(=O)NC3=NN=C(S3)C(F)(F)F

InChI

InChI=1S/C16H17F3N6O2S/c17-16(18,19)14-22-23-15(28-14)21-12(26)4-5-13(27)25-9-7-24(8-10-25)11-3-1-2-6-20-11/h1-3,6H,4-5,7-10H2,(H,21,23,26)/p+1