2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-ethyl-amino]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-ethyl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-ethyl-amino]-N-(2-thienylmethyl)acetamide CAS Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-ethyl-amino]-N-(2-thenyl)acetamide Formula: C15H16ClF3N3OS+ MolecularWeight: 378.82025

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=CS1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

Isomeric SMILES

CCN(CC(=O)NCC1=CC=CS1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

InChI

InChI=1S/C15H15ClF3N3OS/c1-2-22(9-13(23)20-8-11-4-3-5-24-11)14-12(16)6-10(7-21-14)15(17,18)19/h3-7H,2,8-9H2,1H3,(H,20,23)/p+1