2-[2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxo-piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[(2R)-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-oxo-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-keto-piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Formula: C22H25N6O3S+ MolecularWeight: 453.5373

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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=C(C=CS4)C(=O)N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)[C@@H]3C(=O)NCC[NH+]3CC(=O)NC4=C(C=CS4)C(=O)N

InChI

InChI=1S/C22H24N6O3S/c1-13-18(14(2)28(26-13)15-6-4-3-5-7-15)19-21(31)24-9-10-27(19)12-17(29)25-22-16(20(23)30)8-11-32-22/h3-8,11,19H,9-10,12H2,1-2H3,(H2,23,30)(H,24,31)(H,25,29)/p+1/t19-/m1/s1