2-[(2R)-1-(2,2-dimethylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxo-piperazin-1-ium-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide CAS Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxo-2-piperazin-1-iumyl]-N-[[4-(1-pyrazolyl)phenyl]methyl]acetamide IUPAC Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-1-ium-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide Traditional Name: 2-[(2R)-3-keto-1-neopentyl-piperazin-1-ium-2-yl]-N-(4-pyrazol-1-ylbenzyl)acetamide Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCNC(=O)C1CC(=O)NCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC(C)(C)C[NH+]1CCNC(=O)[C@H]1CC(=O)NCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C21H29N5O2/c1-21(2,3)15-25-12-10-22-20(28)18(25)13-19(27)23-14-16-5-7-17(8-6-16)26-11-4-9-24-26/h4-9,11,18H,10,12-15H2,1-3H3,(H,22,28)(H,23,27)/p+1/t18-/m1/s1