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

Systemtic Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]ethanamide Openeye Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxo-piperazin-1-ium-2-yl]-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]acetamide CAS Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxo-2-piperazin-1-iumyl]-N-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]acetamide IUPAC Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-1-ium-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide Traditional Name: 2-[(2R)-1-(cyclohexylmethyl)-3-keto-piperazin-1-ium-2-yl]-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]acetamide Formula: C21H36N5O2+ MolecularWeight: 390.54284

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CNC(=O)CC2C(=O)NCC[NH+]2CC3CCCCC3)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3CCCCC3)C

InChI

InChI=1S/C21H35N5O2/c1-4-26-16(3)18(15(2)24-26)13-23-20(27)12-19-21(28)22-10-11-25(19)14-17-8-6-5-7-9-17/h17,19H,4-14H2,1-3H3,(H,22,28)(H,23,27)/p+1/t19-/m1/s1