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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(4-ethyl-1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: 2-(4-ethylpiperazine-1,4-diium-1-yl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C19H29N5O2+2 MolecularWeight: 359.46586

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC[NH+]1CC[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+2