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

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Openeye Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butanamide IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Traditional Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-keto-4-(4-pyridin-1-ium-2-ylpiperazino)butyramide Formula: C17H23N6O2S+ MolecularWeight: 375.46852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H22N6O2S/c1-2-15-20-21-17(26-15)19-14(24)6-7-16(25)23-11-9-22(10-12-23)13-5-3-4-8-18-13/h3-5,8H,2,6-7,9-12H2,1H3,(H,19,21,24)/p+1