N-(2-chloranyl-6-methyl-phenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridin-1-iumyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane-1-carboxamide Formula: C19H21ClF3N4O+ MolecularWeight: 413.84445

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)NC(=O)N2CCCN(CC2)C3=C(C=CC=[NH+]3)C(F)(F)F

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)N2CCCN(CC2)C3=C(C=CC=[NH+]3)C(F)(F)F

InChI

InChI=1S/C19H20ClF3N4O/c1-13-5-2-7-15(20)16(13)25-18(28)27-10-4-9-26(11-12-27)17-14(19(21,22)23)6-3-8-24-17/h2-3,5-8H,4,9-12H2,1H3,(H,25,28)/p+1