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

Systemtic Name: N-(2,4-dimethoxyphenyl)-2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,4-dimethoxyphenyl)-2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,4-dimethoxyphenyl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,4-dimethoxyphenyl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,4-dimethoxyphenyl)-2-[4-(3-fluoro-4-methoxy-benzyl)piperazin-1-ium-1-yl]acetamide Formula: C22H29FN3O4+ MolecularWeight: 418.481763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC(=C(C=C3)OC)F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC(=C(C=C3)OC)F)OC

InChI

InChI=1S/C22H28FN3O4/c1-28-17-5-6-19(21(13-17)30-3)24-22(27)15-26-10-8-25(9-11-26)14-16-4-7-20(29-2)18(23)12-16/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,24,27)/p+1