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

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-2-yl]-N-(3-pyrazol-1-ylpropyl)ethanamide Openeye Name: 2-[(2R)-1-benzyl-3-oxo-piperazin-1-ium-2-yl]-N-(3-pyrazol-1-ylpropyl)acetamide CAS Name: 2-[(2R)-3-oxo-1-(phenylmethyl)-2-piperazin-1-iumyl]-N-[3-(1-pyrazolyl)propyl]acetamide IUPAC Name: 2-[(2R)-1-benzyl-3-oxopiperazin-1-ium-2-yl]-N-(3-pyrazol-1-ylpropyl)acetamide Traditional Name: 2-[(2R)-1-benzyl-3-keto-piperazin-1-ium-2-yl]-N-(3-pyrazol-1-ylpropyl)acetamide Formula: C19H26N5O2+ MolecularWeight: 356.44204

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCCCN2C=CC=N2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCCCN2C=CC=N2)CC3=CC=CC=C3

InChI

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