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

Systemtic Name: 3-chloranyl-N-(2-methyl-2-methylsulfanyl-propyl)-5-(trifluoromethyl)pyridin-1-ium-2-amine Openeye Name: 3-chloro-N-(2-methyl-2-methylsulfanyl-propyl)-5-(trifluoromethyl)pyridin-1-ium-2-amine CAS Name: 3-chloro-N-[2-methyl-2-(methylthio)propyl]-5-(trifluoromethyl)-2-pyridin-1-iumamine IUPAC Name: 3-chloro-N-(2-methyl-2-methylsulfanylpropyl)-5-(trifluoromethyl)pyridin-1-ium-2-amine Traditional Name: [3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-[2-methyl-2-(methylthio)propyl]amine Formula: C11H15ClF3N2S+ MolecularWeight: 299.76341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C(C=C(C=[NH+]1)C(F)(F)F)Cl)SC

Isomeric SMILES

CC(C)(CNC1=C(C=C(C=[NH+]1)C(F)(F)F)Cl)SC

InChI

InChI=1S/C11H14ClF3N2S/c1-10(2,18-3)6-17-9-8(12)4-7(5-16-9)11(13,14)15/h4-5H,6H2,1-3H3,(H,16,17)/p+1