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

Systemtic Name: 4-oxidanylidene-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Openeye Name: 4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide CAS Name: 4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butanamide IUPAC Name: 4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Traditional Name: 4-keto-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4-(4-pyridin-1-ium-2-ylpiperazino)butyramide Formula: C18H25N6O2S+ MolecularWeight: 389.4951

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H24N6O2S/c1-2-5-16-21-22-18(27-16)20-15(25)7-8-17(26)24-12-10-23(11-13-24)14-6-3-4-9-19-14/h3-4,6,9H,2,5,7-8,10-13H2,1H3,(H,20,22,25)/p+1