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

Systemtic Name: 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)ethanamide Openeye Name: 2-[(2R)-1-(o-tolylmethyl)-3-oxo-piperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide CAS Name: 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[2-(1-pyrazolyl)ethyl]acetamide IUPAC Name: 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-methylbenzyl)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:

CC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)NCCN3C=CC=N3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCN3C=CC=N3

InChI

InChI=1S/C19H25N5O2/c1-15-5-2-3-6-16(15)14-23-11-8-21-19(26)17(23)13-18(25)20-9-12-24-10-4-7-22-24/h2-7,10,17H,8-9,11-14H2,1H3,(H,20,25)(H,21,26)/p+1/t17-/m1/s1