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

Systemtic Name: N-[(S)-(4-fluorophenyl)-thiophen-2-yl-methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(S)-(4-fluorophenyl)-(2-thienyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(S)-(4-fluorophenyl)-(2-thienyl)methyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C21H23FN5OS+ MolecularWeight: 412.503623

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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)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N[C@@H](C2=CC=C(C=C2)F)C3=CC=CS3)C4=NC=CC=N4

InChI

InChI=1S/C21H22FN5OS/c22-17-6-4-16(5-7-17)20(18-3-1-14-29-18)25-19(28)15-26-10-12-27(13-11-26)21-23-8-2-9-24-21/h1-9,14,20H,10-13,15H2,(H,25,28)/p+1/t20-/m0/s1