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

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethyl]thio]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C18H24N5O3S+ MolecularWeight: 390.47986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C18H23N5O3S/c1-14-10-16(21-26-14)20-17(24)12-27-13-18(25)23-8-6-22(7-9-23)11-15-2-4-19-5-3-15/h2-5,10H,6-9,11-13H2,1H3,(H,20,21,24)/p+1