N-(3-fluoranyl-2-methyl-phenyl)-2-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-4-thiophen-2-yl-phenoxy]ethanamide

Systemtic Name: N-(3-fluoranyl-2-methyl-phenyl)-2-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-4-thiophen-2-yl-phenoxy]ethanamide Openeye Name: N-(3-fluoro-2-methyl-phenyl)-2-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-4-(2-thienyl)phenoxy]acetamide CAS Name: N-(3-fluoro-2-methylphenyl)-2-[2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-thiophen-2-ylphenoxy]acetamide IUPAC Name: N-(3-fluoro-2-methylphenyl)-2-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-4-thiophen-2-ylphenoxy]acetamide Traditional Name: N-(3-fluoro-2-methyl-phenyl)-2-[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-4-(2-thienyl)phenoxy]acetamide Formula: C28H29FN5O2S+ MolecularWeight: 518.625563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1F)NC(=O)COC2=C(C=C(C=C2)C3=CC=CS3)C[NH+]4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=C(C=CC=C1F)NC(=O)COC2=C(C=C(C=C2)C3=CC=CS3)C[NH+]4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C28H28FN5O2S/c1-20-23(29)5-2-6-24(20)32-27(35)19-36-25-9-8-21(26-7-3-16-37-26)17-22(25)18-33-12-14-34(15-13-33)28-30-10-4-11-31-28/h2-11,16-17H,12-15,18-19H2,1H3,(H,32,35)/p+1