2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)ethanamide

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)ethanamide Openeye Name: 2-[(2R)-3-oxo-1-phenethyl-piperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide CAS Name: 2-[(2R)-3-oxo-1-phenethyl-2-piperazin-1-iumyl]-N-[2-(1-pyrazolyl)ethyl]acetamide IUPAC Name: 2-[(2R)-3-oxo-1-phenethylpiperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-phenethyl-piperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide Formula: C19H26N5O2+ MolecularWeight: 356.44204

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCCN2C=CC=N2)CCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCCN2C=CC=N2)CCC3=CC=CC=C3

InChI

InChI=1S/C19H25N5O2/c25-18(20-10-14-24-11-4-8-22-24)15-17-19(26)21-9-13-23(17)12-7-16-5-2-1-3-6-16/h1-6,8,11,17H,7,9-10,12-15H2,(H,20,25)(H,21,26)/p+1/t17-/m1/s1