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

Systemtic Name: 3-(azocan-1-ium-1-ylmethyl)-4-fluoranyl-benzenecarbothioamide Openeye Name: 3-(azocan-1-ium-1-ylmethyl)-4-fluoro-benzenecarbothioamide CAS Name: 3-(1-azocan-1-iumylmethyl)-4-fluorobenzenecarbothioamide IUPAC Name: 3-(azocan-1-ium-1-ylmethyl)-4-fluorobenzenecarbothioamide Traditional Name: 3-(azocan-1-ium-1-ylmethyl)-4-fluoro-thiobenzamide Formula: C15H22FN2S+ MolecularWeight: 281.411983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=C(C=CC(=C2)C(=S)N)F

Isomeric SMILES

C1CCC[NH+](CCC1)CC2=C(C=CC(=C2)C(=S)N)F

InChI

InChI=1S/C15H21FN2S/c16-14-7-6-12(15(17)19)10-13(14)11-18-8-4-2-1-3-5-9-18/h6-7,10H,1-5,8-9,11H2,(H2,17,19)/p+1