methyl 2-methoxy-5-[[[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]methyl]benzoate CAS Name: 2-methoxy-5-[[[5-(trifluoromethyl)-2-pyridin-1-iumyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]methyl]benzoate Traditional Name: 2-methoxy-5-[[[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]methyl]benzoic acid methyl ester Formula: C16H16F3N2O3+ MolecularWeight: 341.30505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C16H15F3N2O3/c1-23-13-5-3-10(7-12(13)15(22)24-2)8-20-14-6-4-11(9-21-14)16(17,18)19/h3-7,9H,8H2,1-2H3,(H,20,21)/p+1