N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-methylsulfanylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-methylsulfanylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-(2-methylsulfanylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-[[2-(methylthio)phenyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-methylsulfanylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[4-[2-(methylthio)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C18H22N4O3S/c1-13-11-16(20-25-13)19-17(23)12-21-7-9-22(10-8-21)18(24)14-5-3-4-6-15(14)26-2/h3-6,11H,7-10,12H2,1-2H3,(H,19,20,23)/p+1