5-(trifluoromethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine

Systemtic Name: 5-(trifluoromethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine Openeye Name: 5-(trifluoromethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine CAS Name: 5-(trifluoromethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-2-pyridin-1-iumamine IUPAC Name: 5-(trifluoromethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine Traditional Name: [5-(trifluoromethyl)pyridin-1-ium-2-yl]-(3,4,5-trimethoxybenzyl)amine Formula: C16H18F3N2O3+ MolecularWeight: 343.32093

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC2=[NH+]C=C(C=C2)C(F)(F)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=[NH+]C=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H17F3N2O3/c1-22-12-6-10(7-13(23-2)15(12)24-3)8-20-14-5-4-11(9-21-14)16(17,18)19/h4-7,9H,8H2,1-3H3,(H,20,21)/p+1