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

Systemtic Name: 4-oxidanylidene-4-(4-phenethylpiperazin-4-ium-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide Openeye Name: 4-oxo-4-(4-phenethylpiperazin-4-ium-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide CAS Name: 4-oxo-4-(4-phenethyl-1-piperazin-4-iumyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide IUPAC Name: 4-oxo-4-(4-phenethylpiperazin-4-ium-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide Traditional Name: 4-keto-4-(4-phenethylpiperazin-4-ium-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butyramide Formula: C19H23F3N5O2S+ MolecularWeight: 442.47843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)CCC(=O)NC3=NN=C(S3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)CCC(=O)NC3=NN=C(S3)C(F)(F)F

InChI

InChI=1S/C19H22F3N5O2S/c20-19(21,22)17-24-25-18(30-17)23-15(28)6-7-16(29)27-12-10-26(11-13-27)9-8-14-4-2-1-3-5-14/h1-5H,6-13H2,(H,23,25,28)/p+1