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

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butanamide Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-butanamide CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]butanamide IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-keto-butyramide Formula: C19H26N5O2S+ MolecularWeight: 388.50704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H25N5O2S/c1-2-17-21-22-19(27-17)20-16(25)8-9-18(26)24-12-10-23(11-13-24)14-15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3,(H,20,22,25)/p+1