2-azanyl-5-chloranyl-N-[(1-ethylpyridin-1-ium-3-yl)methyl]-3-(trifluoromethyl)benzamide iodide

Systemtic Name: 2-azanyl-5-chloranyl-N-[(1-ethylpyridin-1-ium-3-yl)methyl]-3-(trifluoromethyl)benzamide iodide Openeye Name: 2-amino-5-chloro-N-[(1-ethylpyridin-1-ium-3-yl)methyl]-3-(trifluoromethyl)benzamide iodide CAS Name: 2-amino-5-chloro-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]-3-(trifluoromethyl)benzamide iodide IUPAC Name: 2-amino-5-chloro-N-[(1-ethylpyridin-1-ium-3-yl)methyl]-3-(trifluoromethyl)benzamide iodide Traditional Name: 2-amino-5-chloro-N-[(1-ethylpyridin-1-ium-3-yl)methyl]-3-(trifluoromethyl)benzamide iodide Formula: C16H16ClF3IN3O MolecularWeight: 485.67042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC(=C1)CNC(=O)C2=CC(=CC(=C2N)C(F)(F)F)Cl.[I-]

Isomeric SMILES

CC[N+]1=CC=CC(=C1)CNC(=O)C2=CC(=CC(=C2N)C(F)(F)F)Cl.[I-]

InChI

InChI=1S/C16H15ClF3N3O.HI/c1-2-23-5-3-4-10(9-23)8-22-15(24)12-6-11(17)7-13(14(12)21)16(18,19)20;/h3-7,9H,2,8H2,1H3,(H2-,21,22,24);1H