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

Systemtic Name: N-(5-cyclohexyl-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-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxo-butanamide CAS Name: N-(5-cyclohexyl-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-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-keto-butyramide Formula: C23H32N5O2S+ MolecularWeight: 442.59748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(S2)NC(=O)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C2=NN=C(S2)NC(=O)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H31N5O2S/c29-20(24-23-26-25-22(31-23)19-9-5-2-6-10-19)11-12-21(30)28-15-13-27(14-16-28)17-18-7-3-1-4-8-18/h1,3-4,7-8,19H,2,5-6,9-17H2,(H,24,26,29)/p+1