N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(5-cyclopropyl-2-phenyl-3-pyrazolyl)-2-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(5-cyclopropyl-2-phenylpyrazol-3-yl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C22H25N4OS+ MolecularWeight: 393.5251

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4CC4)C5=CC=CS5

Isomeric SMILES

C1C[C@H]([NH+](C1)CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4CC4)C5=CC=CS5

InChI

InChI=1S/C22H24N4OS/c27-22(15-25-12-4-8-19(25)20-9-5-13-28-20)23-21-14-18(16-10-11-16)24-26(21)17-6-2-1-3-7-17/h1-3,5-7,9,13-14,16,19H,4,8,10-12,15H2,(H,23,27)/p+1/t19-/m0/s1