N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[(2R)-3-oxo-1-phenethyl-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[(2R)-3-oxo-1-phenethyl-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[(2R)-3-oxo-1-phenethylpiperazin-1-ium-2-yl]acetamide Traditional Name: N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[(2R)-3-keto-1-phenethyl-piperazin-1-ium-2-yl]acetamide Formula: C22H32N5O2+ MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=C1)CNC(=O)CC2C(=O)NCC[NH+]2CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NNC(=C1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CCC3=CC=CC=C3

InChI

InChI=1S/C22H31N5O2/c1-22(2,3)19-13-17(25-26-19)15-24-20(28)14-18-21(29)23-10-12-27(18)11-9-16-7-5-4-6-8-16/h4-8,13,18H,9-12,14-15H2,1-3H3,(H,23,29)(H,24,28)(H,25,26)/p+1/t18-/m1/s1