N-ethyl-N-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-ethyl-N-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-ethyl-N-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-ethyl-N-(4-fluorophenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-ethyl-N-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-ethyl-N-(4-fluorophenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C18H23FN5O+ MolecularWeight: 344.406523

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)F)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCN(C1=CC=C(C=C1)F)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H22FN5O/c1-2-24(16-6-4-15(19)5-7-16)17(25)14-22-10-12-23(13-11-22)18-20-8-3-9-21-18/h3-9H,2,10-14H2,1H3/p+1