2-[4-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)carbonylpiperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: 2-[4-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)carbonylpiperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: 2-[4-(5-cyclopropyl-2-phenyl-pyrazole-3-carbonyl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: 2-[4-[(5-cyclopropyl-2-phenyl-3-pyrazolyl)-oxomethyl]-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: 2-[4-(5-cyclopropyl-2-phenylpyrazole-3-carbonyl)piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: 2-[4-(5-cyclopropyl-2-phenyl-pyrazole-3-carbonyl)piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C20H26N5O2+ MolecularWeight: 368.45274

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4

Isomeric SMILES

CNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C20H25N5O2/c1-21-19(26)14-23-9-11-24(12-10-23)20(27)18-13-17(15-7-8-15)22-25(18)16-5-3-2-4-6-16/h2-6,13,15H,7-12,14H2,1H3,(H,21,26)/p+1