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

Systemtic Name: (2S)-N-[(4-fluorophenyl)methyl]-4-methyl-2-phenyl-piperazin-4-ium-1-carbothioamide Openeye Name: (2S)-N-[(4-fluorophenyl)methyl]-4-methyl-2-phenyl-piperazin-4-ium-1-carbothioamide CAS Name: (2S)-N-[(4-fluorophenyl)methyl]-4-methyl-2-phenyl-1-piperazin-4-iumcarbothioamide IUPAC Name: (2S)-N-[(4-fluorophenyl)methyl]-4-methyl-2-phenylpiperazin-4-ium-1-carbothioamide Traditional Name: (2S)-N-(4-fluorobenzyl)-4-methyl-2-phenyl-piperazin-4-ium-1-carbothioamide Formula: C19H23FN3S+ MolecularWeight: 344.469423

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C19H22FN3S/c1-22-11-12-23(18(14-22)16-5-3-2-4-6-16)19(24)21-13-15-7-9-17(20)10-8-15/h2-10,18H,11-14H2,1H3,(H,21,24)/p+1/t18-/m1/s1