N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]sulfanyl-ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]sulfanyl-ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]sulfanyl-acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[2-oxo-2-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethyl]thio]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C17H22N5O3S+ MolecularWeight: 376.45328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C17H21N5O3S/c1-13-10-15(20-25-13)19-16(23)11-26-12-17(24)22-8-6-21(7-9-22)14-2-4-18-5-3-14/h2-5,10H,6-9,11-12H2,1H3,(H,19,20,23)/p+1