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

Systemtic Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxidanylidene-4-(4-phenethylpiperazin-4-ium-1-yl)butanamide Openeye Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-phenethylpiperazin-4-ium-1-yl)butanamide CAS Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-phenethyl-1-piperazin-4-iumyl)butanamide IUPAC Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-phenethylpiperazin-4-ium-1-yl)butanamide Traditional Name: 4-keto-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(4-phenethylpiperazin-4-ium-1-yl)butyramide Formula: C19H26N5O2S+ MolecularWeight: 388.50704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)CCC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(S1)NC(=O)CCC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C19H25N5O2S/c1-15-21-22-19(27-15)20-17(25)7-8-18(26)24-13-11-23(12-14-24)10-9-16-5-3-2-4-6-16/h2-6H,7-14H2,1H3,(H,20,22,25)/p+1