2-[2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]benzamide

Systemtic Name: 2-[2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]benzamide Openeye Name: 2-[2-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethoxy]benzamide CAS Name: 2-[2-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethoxy]benzamide IUPAC Name: 2-[2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethoxy]benzamide Traditional Name: 2-[2-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-2-keto-ethoxy]benzamide Formula: C21H25FN3O4+ MolecularWeight: 402.439303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3C(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C21H24FN3O4/c1-28-18-7-6-16(22)12-15(18)13-24-8-10-25(11-9-24)20(26)14-29-19-5-3-2-4-17(19)21(23)27/h2-7,12H,8-11,13-14H2,1H3,(H2,23,27)/p+1