N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-[(2R)-3-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-[(2R)-3-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[(2R)-1-benzyl-3-oxo-piperazin-1-ium-2-yl]-N-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]acetamide CAS Name: N-[(5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl]-2-[(2R)-3-oxo-1-(phenylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[(2R)-1-benzyl-3-oxopiperazin-1-ium-2-yl]-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide Traditional Name: 2-[(2R)-1-benzyl-3-keto-piperazin-1-ium-2-yl]-N-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]acetamide Formula: C22H25N4O3S+ MolecularWeight: 425.5239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)CNC(=O)CC3C(=O)NCC[NH+]3CC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)CNC(=O)C[C@@H]3C(=O)NCC[NH+]3CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3S/c1-15-17(25-22(29-15)19-8-5-11-30-19)13-24-20(27)12-18-21(28)23-9-10-26(18)14-16-6-3-2-4-7-16/h2-8,11,18H,9-10,12-14H2,1H3,(H,23,28)(H,24,27)/p+1/t18-/m1/s1