2-(4-fluorophenyl)sulfanyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide

Systemtic Name: 2-(4-fluorophenyl)sulfanyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(4-fluorophenyl)sulfanyl-acetamide CAS Name: 2-[(4-fluorophenyl)thio]-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]acetamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-[(4-fluorophenyl)thio]acetamide Formula: C25H27FN3OS+ MolecularWeight: 436.564783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CSC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CSC4=CC=C(C=C4)F

InChI

InChI=1S/C25H26FN3OS/c26-21-6-12-24(13-7-21)31-19-25(30)27-22-8-10-23(11-9-22)29-16-14-28(15-17-29)18-20-4-2-1-3-5-20/h1-13H,14-19H2,(H,27,30)/p+1