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

Systemtic Name: N-methyl-N-(1,2-oxazol-5-ylmethyl)-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-(isoxazol-5-ylmethyl)-N-methyl-acetamide CAS Name: N-(5-isoxazolylmethyl)-N-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-methyl-N-(1,2-oxazol-5-ylmethyl)acetamide Traditional Name: 2-[(2R)-1-benzyl-3-keto-piperazin-1-ium-2-yl]-N-(isoxazol-5-ylmethyl)-N-methyl-acetamide Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=NO1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=NO1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O3/c1-21(13-15-7-8-20-25-15)17(23)11-16-18(24)19-9-10-22(16)12-14-5-3-2-4-6-14/h2-8,16H,9-13H2,1H3,(H,19,24)/p+1/t16-/m1/s1