N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(5-cyclopropyl-2-phenyl-3-pyrazolyl)-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(5-cyclopropyl-2-phenylpyrazol-3-yl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C18H22N5O2+ MolecularWeight: 340.39958

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)NC(=O)C[NH+]3CCNC(=O)C3)C4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN(C(=C2)NC(=O)C[NH+]3CCNC(=O)C3)C4=CC=CC=C4

InChI

InChI=1S/C18H21N5O2/c24-17-11-22(9-8-19-17)12-18(25)20-16-10-15(13-6-7-13)21-23(16)14-4-2-1-3-5-14/h1-5,10,13H,6-9,11-12H2,(H,19,24)(H,20,25)/p+1