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

Systemtic Name: 2-[(2R)-1-methyl-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]ethanamide Openeye Name: 2-[(2R)-1-methyl-3-oxo-piperazin-1-ium-2-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide CAS Name: 2-[(2R)-1-methyl-3-oxo-2-piperazin-1-iumyl]-N-[2-(1-phenyl-4-pyrazolyl)ethyl]acetamide IUPAC Name: 2-[(2R)-1-methyl-3-oxopiperazin-1-ium-2-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide Traditional Name: 2-[(2R)-3-keto-1-methyl-piperazin-1-ium-2-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide Formula: C18H24N5O2+ MolecularWeight: 342.41546

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCNC(=O)C1CC(=O)NCCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCNC(=O)[C@H]1CC(=O)NCCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H23N5O2/c1-22-10-9-20-18(25)16(22)11-17(24)19-8-7-14-12-21-23(13-14)15-5-3-2-4-6-15/h2-6,12-13,16H,7-11H2,1H3,(H,19,24)(H,20,25)/p+1/t16-/m1/s1