4-methyl-N-[3-(trifluoromethyl)phenyl]-1,4-diazepan-4-ium-1-carbothioamide

Systemtic Name: 4-methyl-N-[3-(trifluoromethyl)phenyl]-1,4-diazepan-4-ium-1-carbothioamide Openeye Name: 4-methyl-N-[3-(trifluoromethyl)phenyl]-1,4-diazepan-4-ium-1-carbothioamide CAS Name: 4-methyl-N-[3-(trifluoromethyl)phenyl]-1,4-diazepan-4-ium-1-carbothioamide IUPAC Name: 4-methyl-N-[3-(trifluoromethyl)phenyl]-1,4-diazepan-4-ium-1-carbothioamide Traditional Name: 4-methyl-N-[3-(trifluoromethyl)phenyl]-1,4-diazepan-4-ium-1-carbothioamide Formula: C14H19F3N3S+ MolecularWeight: 318.38097

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=S)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=S)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C14H18F3N3S/c1-19-6-3-7-20(9-8-19)13(21)18-12-5-2-4-11(10-12)14(15,16)17/h2,4-5,10H,3,6-9H2,1H3,(H,18,21)/p+1