2-[(2R)-1-(2,2-dimethylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(1-ethylpyrazol-4-yl)methyl]ethanamide

Systemtic Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(1-ethylpyrazol-4-yl)methyl]ethanamide Openeye Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxo-piperazin-1-ium-2-yl]-N-[(1-ethylpyrazol-4-yl)methyl]acetamide CAS Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxo-2-piperazin-1-iumyl]-N-[(1-ethyl-4-pyrazolyl)methyl]acetamide IUPAC Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-1-ium-2-yl]-N-[(1-ethylpyrazol-4-yl)methyl]acetamide Traditional Name: N-[(1-ethylpyrazol-4-yl)methyl]-2-[(2R)-3-keto-1-neopentyl-piperazin-1-ium-2-yl]acetamide Formula: C17H30N5O2+ MolecularWeight: 336.4524

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CNC(=O)CC2C(=O)NCC[NH+]2CC(C)(C)C

Isomeric SMILES

CCN1C=C(C=N1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC(C)(C)C

InChI

InChI=1S/C17H29N5O2/c1-5-22-11-13(10-20-22)9-19-15(23)8-14-16(24)18-6-7-21(14)12-17(2,3)4/h10-11,14H,5-9,12H2,1-4H3,(H,18,24)(H,19,23)/p+1/t14-/m1/s1