4-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

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