[5-carboxy-2-methyl-3-(trifluoromethyl)phenyl]-dipropyl-pyridin-2-yl-azanium

Systemtic Name: [5-carboxy-2-methyl-3-(trifluoromethyl)phenyl]-dipropyl-pyridin-2-yl-azanium Openeye Name: [5-carboxy-2-methyl-3-(trifluoromethyl)phenyl]-dipropyl-(2-pyridyl)ammonium CAS Name: [5-carboxy-2-methyl-3-(trifluoromethyl)phenyl]-dipropyl-(2-pyridinyl)ammonium IUPAC Name: [5-carboxy-2-methyl-3-(trifluoromethyl)phenyl]-dipropyl-pyridin-2-ylazanium Traditional Name: [5-carboxy-2-methyl-3-(trifluoromethyl)phenyl]-dipropyl-(2-pyridyl)ammonium Formula: C20H24F3N2O2+ MolecularWeight: 381.41197

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CCC)(C1=CC=CC=N1)C2=CC(=CC(=C2C)C(F)(F)F)C(=O)O

Isomeric SMILES

CCC[N+](CCC)(C1=CC=CC=N1)C2=CC(=CC(=C2C)C(F)(F)F)C(=O)O

InChI

InChI=1S/C20H23F3N2O2/c1-4-10-25(11-5-2,18-8-6-7-9-24-18)17-13-15(19(26)27)12-16(14(17)3)20(21,22)23/h6-9,12-13H,4-5,10-11H2,1-3H3/p+1