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

Systemtic Name: 3-chloranyl-5-(trifluoromethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine Openeye Name: 3-chloro-5-(trifluoromethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine CAS Name: 3-chloro-5-(trifluoromethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]-2-pyridin-1-iumamine IUPAC Name: 3-chloro-5-(trifluoromethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine Traditional Name: [3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-(2,4,5-trimethoxybenzyl)amine Formula: C16H17ClF3N2O3+ MolecularWeight: 377.76599

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)OC)OC

InChI

InChI=1S/C16H16ClF3N2O3/c1-23-12-6-14(25-3)13(24-2)4-9(12)7-21-15-11(17)5-10(8-22-15)16(18,19)20/h4-6,8H,7H2,1-3H3,(H,21,22)/p+1