3-(azepan-1-ium-1-ylmethyl)-4-fluoranyl-benzenecarbothioamide

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-4-fluoranyl-benzenecarbothioamide Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-4-fluoro-benzenecarbothioamide CAS Name: 3-(1-azepan-1-iumylmethyl)-4-fluorobenzenecarbothioamide IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-4-fluorobenzenecarbothioamide Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-4-fluoro-thiobenzamide Formula: C14H20FN2S+ MolecularWeight: 267.385403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C=CC(=C2)C(=S)N)F

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C=CC(=C2)C(=S)N)F

InChI

InChI=1S/C14H19FN2S/c15-13-6-5-11(14(16)18)9-12(13)10-17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2,(H2,16,18)/p+1