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

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-carbothioamide CAS Name: N-[(4-fluorophenyl)methyl]-4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-fluorobenzyl)-4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-carbothioamide Formula: C19H24FN4S+ MolecularWeight: 359.484063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=N2)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=N2)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C19H23FN4S/c20-17-6-4-16(5-7-17)15-22-19(25)24-13-11-23(12-14-24)10-8-18-3-1-2-9-21-18/h1-7,9H,8,10-15H2,(H,22,25)/p+1