1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(2-fluoranylphenoxy)ethanone

Systemtic Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(2-fluoranylphenoxy)ethanone Openeye Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(2-fluorophenoxy)ethanone CAS Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-(2-fluorophenoxy)ethanone IUPAC Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(2-fluorophenoxy)ethanone Traditional Name: 2-(2-fluorophenoxy)-1-(4-veratrylpiperazin-4-ium-1-yl)ethanone Formula: C21H26FN2O4+ MolecularWeight: 389.440543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3F)OC

InChI

InChI=1S/C21H25FN2O4/c1-26-19-8-7-16(13-20(19)27-2)14-23-9-11-24(12-10-23)21(25)15-28-18-6-4-3-5-17(18)22/h3-8,13H,9-12,14-15H2,1-2H3/p+1