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

Systemtic Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Openeye Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide CAS Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butanamide IUPAC Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Traditional Name: N-(5-isobutyl-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)CC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

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

InChI

InChI=1S/C19H26N6O2S/c1-14(2)13-17-22-23-19(28-17)21-16(26)6-7-18(27)25-11-9-24(10-12-25)15-5-3-4-8-20-15/h3-5,8,14H,6-7,9-13H2,1-2H3,(H,21,23,26)/p+1