3-chloranyl-N-(2-morpholin-4-ium-4-ylethyl)-5-(trifluoromethyl)pyridin-1-ium-2-amine

Systemtic Name: 3-chloranyl-N-(2-morpholin-4-ium-4-ylethyl)-5-(trifluoromethyl)pyridin-1-ium-2-amine Openeye Name: 3-chloro-N-(2-morpholin-4-ium-4-ylethyl)-5-(trifluoromethyl)pyridin-1-ium-2-amine CAS Name: 3-chloro-N-[2-(4-morpholin-4-iumyl)ethyl]-5-(trifluoromethyl)-2-pyridin-1-iumamine IUPAC Name: 3-chloro-N-(2-morpholin-4-ium-4-ylethyl)-5-(trifluoromethyl)pyridin-1-ium-2-amine Traditional Name: [3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-(2-morpholin-4-ium-4-ylethyl)amine Formula: C12H17ClF3N3O+2 MolecularWeight: 311.73109

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

Isomeric SMILES

C1COCC[NH+]1CCNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

InChI

InChI=1S/C12H15ClF3N3O/c13-10-7-9(12(14,15)16)8-18-11(10)17-1-2-19-3-5-20-6-4-19/h7-8H,1-6H2,(H,17,18)/p+2