2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamide

Systemtic Name: 2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamide Openeye Name: N-[(1-methylpyrazol-4-yl)methyl]-2-[(2R)-3-oxo-1-(p-tolylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[(1-methyl-4-pyrazolyl)methyl]acetamide IUPAC Name: 2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(4-methylbenzyl)piperazin-1-ium-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide Formula: C19H26N5O2+ MolecularWeight: 356.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCC3=CN(N=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC3=CN(N=C3)C

InChI

InChI=1S/C19H25N5O2/c1-14-3-5-15(6-4-14)13-24-8-7-20-19(26)17(24)9-18(25)21-10-16-11-22-23(2)12-16/h3-6,11-12,17H,7-10,13H2,1-2H3,(H,20,26)(H,21,25)/p+1/t17-/m1/s1