N-(3-cyanothiophen-2-yl)-3-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]propionamide Formula: C20H24FN4O2S+ MolecularWeight: 403.493563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)CCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)CCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C20H23FN4O2S/c1-27-18-3-2-17(21)12-16(18)14-25-9-7-24(8-10-25)6-4-19(26)23-20-15(13-22)5-11-28-20/h2-3,5,11-12H,4,6-10,14H2,1H3,(H,23,26)/p+1