4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(phenylmethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(phenylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-benzyl-4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane-1-carboxamide CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-N-(phenylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-benzyl-4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-benzyl-4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane-1-carboxamide Formula: C19H21ClF3N4O+ MolecularWeight: 413.84445

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCC2=CC=CC=C2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCC2=CC=CC=C2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

InChI

InChI=1S/C19H20ClF3N4O/c20-16-11-15(19(21,22)23)13-24-17(16)26-7-4-8-27(10-9-26)18(28)25-12-14-5-2-1-3-6-14/h1-3,5-6,11,13H,4,7-10,12H2,(H,25,28)/p+1