3-chloranyl-N-methyl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-1-ium-2-amine

Systemtic Name: 3-chloranyl-N-methyl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-1-ium-2-amine Openeye Name: 3-chloro-N-methyl-N-(3-pyridylmethyl)-5-(trifluoromethyl)pyridin-1-ium-2-amine CAS Name: 3-chloro-N-methyl-N-(3-pyridinylmethyl)-5-(trifluoromethyl)-2-pyridin-1-iumamine IUPAC Name: 3-chloro-N-methyl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-1-ium-2-amine Traditional Name: [3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-methyl-(3-pyridylmethyl)amine Formula: C13H12ClF3N3+ MolecularWeight: 302.70269

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=CC=C1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

Isomeric SMILES

CN(CC1=CN=CC=C1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

InChI

InChI=1S/C13H11ClF3N3/c1-20(8-9-3-2-4-18-6-9)12-11(14)5-10(7-19-12)13(15,16)17/h2-7H,8H2,1H3/p+1