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

Systemtic Name: 4-oxidanylidene-4-(4-phenethylpiperazin-4-ium-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide Openeye Name: 4-oxo-4-(4-phenethylpiperazin-4-ium-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide CAS Name: 4-oxo-4-(4-phenethyl-1-piperazin-4-iumyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide IUPAC Name: 4-oxo-4-(4-phenethylpiperazin-4-ium-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide Traditional Name: 4-keto-4-(4-phenethylpiperazin-4-ium-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butyramide Formula: C21H30N5O2S+ MolecularWeight: 416.5602

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H29N5O2S/c1-2-6-19-23-24-21(29-19)22-18(27)9-10-20(28)26-15-13-25(14-16-26)12-11-17-7-4-3-5-8-17/h3-5,7-8H,2,6,9-16H2,1H3,(H,22,24,27)/p+1