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

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxidanylidene-4-(4-phenethylpiperazin-4-ium-1-yl)butanamide Openeye Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-phenethylpiperazin-4-ium-1-yl)butanamide CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-phenethyl-1-piperazin-4-iumyl)butanamide IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-phenethylpiperazin-4-ium-1-yl)butanamide Traditional Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-keto-4-(4-phenethylpiperazin-4-ium-1-yl)butyramide Formula: C20H28N5O2S+ MolecularWeight: 402.53362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)CCC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)CCC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H27N5O2S/c1-2-18-22-23-20(28-18)21-17(26)8-9-19(27)25-14-12-24(13-15-25)11-10-16-6-4-3-5-7-16/h3-7H,2,8-15H2,1H3,(H,21,23,26)/p+1