N-[(S)-(4-fluorophenyl)-thiophen-2-yl-methyl]-2-(4-phenethylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(S)-(4-fluorophenyl)-thiophen-2-yl-methyl]-2-(4-phenethylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(S)-(4-fluorophenyl)-(2-thienyl)methyl]-2-(4-phenethylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-phenethyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-phenethylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(S)-(4-fluorophenyl)-(2-thienyl)methyl]-2-(4-phenethylpiperazin-1-ium-1-yl)acetamide Formula: C25H29FN3OS+ MolecularWeight: 438.580663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N[C@@H](C2=CC=C(C=C2)F)C3=CC=CS3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H28FN3OS/c26-22-10-8-21(9-11-22)25(23-7-4-18-31-23)27-24(30)19-29-16-14-28(15-17-29)13-12-20-5-2-1-3-6-20/h1-11,18,25H,12-17,19H2,(H,27,30)/p+1/t25-/m0/s1