[4-carboxy-5-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-dimethyl-pyridin-2-yl-azanium

Systemtic Name: [4-carboxy-5-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-dimethyl-pyridin-2-yl-azanium Openeye Name: [4-carboxy-5-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-dimethyl-(2-pyridyl)ammonium CAS Name: [4-carboxy-5-methyl-5-(trifluoromethyl)-1-cyclohexa-1,3-dienyl]-dimethyl-(2-pyridinyl)ammonium IUPAC Name: [4-carboxy-5-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-dimethyl-pyridin-2-ylazanium Traditional Name: [4-carboxy-5-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-dimethyl-(2-pyridyl)ammonium Formula: C16H18F3N2O2+ MolecularWeight: 327.32153

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC=C1C(=O)O)[N+](C)(C)C2=CC=CC=N2)C(F)(F)F

Isomeric SMILES

CC1(CC(=CC=C1C(=O)O)[N+](C)(C)C2=CC=CC=N2)C(F)(F)F

InChI

InChI=1S/C16H17F3N2O2/c1-15(16(17,18)19)10-11(7-8-12(15)14(22)23)21(2,3)13-6-4-5-9-20-13/h4-9H,10H2,1-3H3/p+1