N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-ethylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-ethylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(4-ethylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(4-ethyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylpiperazin-1-ium-1-yl)acetamide Traditional Name: 2-(4-ethylpiperazin-1-ium-1-yl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C19H28N5O2+ MolecularWeight: 358.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCN1CC[NH+](CC1)CC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C19H27N5O2/c1-4-22-10-12-23(13-11-22)14-17(25)20-18-15(2)21(3)24(19(18)26)16-8-6-5-7-9-16/h5-9H,4,10-14H2,1-3H3,(H,20,25)/p+1