N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide

Systemtic Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Openeye Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide CAS Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butanamide IUPAC Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Traditional Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-keto-4-(4-pyridin-1-ium-2-ylpiperazino)butyramide Formula: C21H29N6O2S+ MolecularWeight: 429.55896

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(S2)NC(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CCC(CC1)C2=NN=C(S2)NC(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H28N6O2S/c28-18(23-21-25-24-20(30-21)16-6-2-1-3-7-16)9-10-19(29)27-14-12-26(13-15-27)17-8-4-5-11-22-17/h4-5,8,11,16H,1-3,6-7,9-10,12-15H2,(H,23,25,28)/p+1