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

Systemtic Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Openeye Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide CAS Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butanamide IUPAC Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Traditional Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-keto-4-(4-pyridin-1-ium-2-ylpiperazino)butyramide Formula: C19H27N6O2S+ MolecularWeight: 403.52168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(C)(C)C1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H26N6O2S/c1-19(2,3)17-22-23-18(28-17)21-15(26)7-8-16(27)25-12-10-24(11-13-25)14-6-4-5-9-20-14/h4-6,9H,7-8,10-13H2,1-3H3,(H,21,23,26)/p+1