(3S)-4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)-N-phenyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: (3S)-4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)-N-phenyl-piperazin-4-ium-1-carbothioamide Openeye Name: (3S)-4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)-N-phenyl-piperazin-4-ium-1-carbothioamide CAS Name: (3S)-4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)-N-phenyl-1-piperazin-4-iumcarbothioamide IUPAC Name: (3S)-4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)-N-phenylpiperazin-4-ium-1-carbothioamide Traditional Name: (3S)-4-(4-fluorobenzyl)-3-(2-hydroxyethyl)-N-phenyl-piperazin-4-ium-1-carbothioamide Formula: C20H25FN3OS+ MolecularWeight: 374.495403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CC2=CC=C(C=C2)F)CCO)C(=S)NC3=CC=CC=C3

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CC2=CC=C(C=C2)F)CCO)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C20H24FN3OS/c21-17-8-6-16(7-9-17)14-23-11-12-24(15-19(23)10-13-25)20(26)22-18-4-2-1-3-5-18/h1-9,19,25H,10-15H2,(H,22,26)/p+1/t19-/m0/s1