[[4-ethoxycarbonyl-2-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazol-2-ium-3-yl]amino]methylidene-dimethyl-azanium

Systemtic Name: [[4-ethoxycarbonyl-2-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazol-2-ium-3-yl]amino]methylidene-dimethyl-azanium Openeye Name: [[4-ethoxycarbonyl-2-[5-(trifluoromethyl)-2-pyridyl]-1H-pyrazol-2-ium-3-yl]amino]methylene-dimethyl-ammonium CAS Name: [[4-ethoxycarbonyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-2-ium-3-yl]amino]methylidene-dimethylammonium IUPAC Name: [[4-ethoxycarbonyl-2-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazol-2-ium-3-yl]amino]methylidene-dimethylazanium Traditional Name: [[4-carbethoxy-2-[5-(trifluoromethyl)-2-pyridyl]-1H-pyrazol-2-ium-3-yl]amino]methylene-dimethyl-ammonium Formula: C15H18F3N5O2+2 MolecularWeight: 357.33093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN[N+](=C1NC=[N+](C)C)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN[N+](=C1NC=[N+](C)C)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C15H16F3N5O2/c1-4-25-14(24)11-8-21-23(13(11)20-9-22(2)3)12-6-5-10(7-19-12)15(16,17)18/h5-9H,4H2,1-3H3/p+2