4-ethyl-N-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-ethyl-N-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-ethyl-N-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-ethyl-N-[(4-fluorophenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-ethyl-N-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-ethyl-N-(4-fluorobenzyl)piperazin-4-ium-1-carbothioamide Formula: C14H21FN3S+ MolecularWeight: 282.400043

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=S)NCC2=CC=C(C=C2)F

InChI

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