N-cyclopropyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-cyclopropyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane-1-carbothioamide Openeye Name: N-cyclopropyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane-1-carbothioamide CAS Name: N-cyclopropyl-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-cyclopropyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane-1-carbothioamide Traditional Name: N-cyclopropyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane-1-carbothioamide Formula: C15H20F3N4S+ MolecularWeight: 345.40631

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C15H19F3N4S/c16-15(17,18)11-2-5-13(19-10-11)21-6-1-7-22(9-8-21)14(23)20-12-3-4-12/h2,5,10,12H,1,3-4,6-9H2,(H,20,23)/p+1