2-(3,4-dimethoxyphenyl)-1-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethoxyphenyl)-1-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(3,4-dimethoxyphenyl)-1-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(3,4-dimethoxyphenyl)-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(3,4-dimethoxyphenyl)-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(3,4-dimethoxyphenyl)-1-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]ethanone Formula: C22H28FN2O4+ MolecularWeight: 403.467123

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)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN2O4/c1-27-19-7-5-18(23)14-17(19)15-24-8-10-25(11-9-24)22(26)13-16-4-6-20(28-2)21(12-16)29-3/h4-7,12,14H,8-11,13,15H2,1-3H3/p+1