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

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[3-(methylsulfanylmethyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-[3-(methylsulfanylmethyl)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-[[3-[(methylthio)methyl]phenyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[3-(methylsulfanylmethyl)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[4-[3-[(methylthio)methyl]benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C19H25N4O3S+ MolecularWeight: 389.4918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O3S/c1-14-10-17(21-26-14)20-18(24)12-22-6-8-23(9-7-22)19(25)16-5-3-4-15(11-16)13-27-2/h3-5,10-11H,6-9,12-13H2,1-2H3,(H,20,21,24)/p+1