N-tert-butyl-2-[4-[(3-phenyl-1H-pyrazol-5-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(3-phenyl-1H-pyrazol-5-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[oxo-(3-phenyl-1H-pyrazol-5-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C20H28N5O2+ MolecularWeight: 370.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C20H27N5O2/c1-20(2,3)21-18(26)14-24-9-11-25(12-10-24)19(27)17-13-16(22-23-17)15-7-5-4-6-8-15/h4-8,13H,9-12,14H2,1-3H3,(H,21,26)(H,22,23)/p+1