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

Systemtic Name: N-(5-methyl-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-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-butanamide CAS Name: N-(5-methyl-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-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-4-keto-N-(5-methyl-1,3,4-thiadiazol-2-yl)butyramide Formula: C18H24N5O2S+ MolecularWeight: 374.48046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(S1)NC(=O)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H23N5O2S/c1-14-20-21-18(26-14)19-16(24)7-8-17(25)23-11-9-22(10-12-23)13-15-5-3-2-4-6-15/h2-6H,7-13H2,1H3,(H,19,21,24)/p+1