N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxo-piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-oxo-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-keto-piperazin-1-ium-1-yl]acetamide Formula: C24H26N5O4+ MolecularWeight: 448.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCC[NH+]3CC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)[C@@H]3C(=O)NCC[NH+]3CC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H25N5O4/c1-15-22(16(2)29(27-15)18-6-4-3-5-7-18)23-24(31)25-10-11-28(23)13-21(30)26-17-8-9-19-20(12-17)33-14-32-19/h3-9,12,23H,10-11,13-14H2,1-2H3,(H,25,31)(H,26,30)/p+1/t23-/m1/s1