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

Systemtic Name: 2-[4-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[4-(2-chloro-5-methylsulfanyl-benzoyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[4-[[2-chloro-5-(methylthio)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[4-(2-chloro-5-methylsulfanylbenzoyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[4-[2-chloro-5-(methylthio)benzoyl]piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C18H22ClN4O3S+ MolecularWeight: 409.91028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O3S/c1-12-9-16(21-26-12)20-17(24)11-22-5-7-23(8-6-22)18(25)14-10-13(27-2)3-4-15(14)19/h3-4,9-10H,5-8,11H2,1-2H3,(H,20,21,24)/p+1