N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide Traditional Name: N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-[(2R)-3-keto-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide Formula: C23H34N5O2+ MolecularWeight: 412.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CNC(=O)CC2C(=O)NCC[NH+]2CCCC3=CC=CC=C3)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CCCC3=CC=CC=C3)C

InChI

InChI=1S/C23H33N5O2/c1-4-28-18(3)20(17(2)26-28)16-25-22(29)15-21-23(30)24-12-14-27(21)13-8-11-19-9-6-5-7-10-19/h5-7,9-10,21H,4,8,11-16H2,1-3H3,(H,24,30)(H,25,29)/p+1/t21-/m1/s1