4-[(3-fluorophenyl)methyl]-N-prop-2-enyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(3-fluorophenyl)methyl]-N-prop-2-enyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-allyl-4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3-fluorophenyl)methyl]-N-prop-2-enyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3-fluorophenyl)methyl]-N-prop-2-enylpiperazin-4-ium-1-carbothioamide Traditional Name: N-allyl-4-(3-fluorobenzyl)piperazin-4-ium-1-carbothioamide Formula: C15H21FN3S+ MolecularWeight: 294.410743

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N1CC[NH+](CC1)CC2=CC(=CC=C2)F

Isomeric SMILES

C=CCNC(=S)N1CC[NH+](CC1)CC2=CC(=CC=C2)F

InChI

InChI=1S/C15H20FN3S/c1-2-6-17-15(20)19-9-7-18(8-10-19)12-13-4-3-5-14(16)11-13/h2-5,11H,1,6-10,12H2,(H,17,20)/p+1