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

Systemtic Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Openeye Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide CAS Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butanamide IUPAC Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Traditional Name: 4-keto-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(4-pyridin-1-ium-2-ylpiperazino)butyramide Formula: C16H21N6O2S+ MolecularWeight: 361.44194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H20N6O2S/c1-12-19-20-16(25-12)18-14(23)5-6-15(24)22-10-8-21(9-11-22)13-4-2-3-7-17-13/h2-4,7H,5-6,8-11H2,1H3,(H,18,20,23)/p+1