N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(2S)-2-phenylsulfanylpropanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(2S)-2-phenylsulfanylpropanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-[(2S)-2-phenylsulfanylpropanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-[(2S)-1-oxo-2-(phenylthio)propyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(2S)-2-phenylsulfanylpropanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[4-[(2S)-2-(phenylthio)propanoyl]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)C(C)SC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)[C@H](C)SC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O3S/c1-14-12-17(21-26-14)20-18(24)13-22-8-10-23(11-9-22)19(25)15(2)27-16-6-4-3-5-7-16/h3-7,12,15H,8-11,13H2,1-2H3,(H,20,21,24)/p+1/t15-/m0/s1