4-[(2-fluorophenyl)methyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(2-fluorophenyl)methyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(2-fluorophenyl)methyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(2-fluorophenyl)methyl]-N-phenethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(2-fluorophenyl)methyl]-N-phenethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-fluorobenzyl)-N-phenethyl-piperazin-4-ium-1-carbothioamide Formula: C20H25FN3S+ MolecularWeight: 358.496003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H24FN3S/c21-19-9-5-4-8-18(19)16-23-12-14-24(15-13-23)20(25)22-11-10-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,22,25)/p+1