3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4-fluoranyl-benzenecarbothioamide

Systemtic Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4-fluoranyl-benzenecarbothioamide Openeye Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4-fluoro-benzenecarbothioamide CAS Name: 3-[(4-ethyl-1-piperazin-4-iumyl)methyl]-4-fluorobenzenecarbothioamide IUPAC Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4-fluorobenzenecarbothioamide Traditional Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4-fluoro-thiobenzamide Formula: C14H21FN3S+ MolecularWeight: 282.400043

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=C(C=CC(=C2)C(=S)N)F

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=C(C=CC(=C2)C(=S)N)F

InChI

InChI=1S/C14H20FN3S/c1-2-17-5-7-18(8-6-17)10-12-9-11(14(16)19)3-4-13(12)15/h3-4,9H,2,5-8,10H2,1H3,(H2,16,19)/p+1