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

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[4-(5-fluoro-2-methoxy-benzyl)piperazin-1-ium-1-yl]acetamide Formula: C19H22FN4O2S+ MolecularWeight: 389.466983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)CN2CC[NH+](CC2)CC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)F)CN2CC[NH+](CC2)CC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C19H21FN4O2S/c1-26-17-3-2-16(20)10-15(17)12-23-5-7-24(8-6-23)13-18(25)22-19-14(11-21)4-9-27-19/h2-4,9-10H,5-8,12-13H2,1H3,(H,22,25)/p+1