N-(3-azanyl-1H-isoindol-2-ium-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamide

Systemtic Name: N-(3-azanyl-1H-isoindol-2-ium-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamide Openeye Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide CAS Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-[3-(trifluoromethyl)-1-pyrazolyl]acetamide IUPAC Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide Traditional Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide Formula: C14H13F3N5O+ MolecularWeight: 324.28113

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=[N+]1NC(=O)CN3C=CC(=N3)C(F)(F)F)N

Isomeric SMILES

C1C2=CC=CC=C2C(=[N+]1NC(=O)CN3C=CC(=N3)C(F)(F)F)N

InChI

InChI=1S/C14H12F3N5O/c15-14(16,17)11-5-6-21(19-11)8-12(23)20-22-7-9-3-1-2-4-10(9)13(22)18/h1-6,18H,7-8H2,(H,20,23)/p+1