1-[(2,5-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazin-4-ium Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazin-4-ium CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethoxybenzyl)-4-(4-fluorobenzyl)piperazin-4-ium Formula: C20H26FN2O2+ MolecularWeight: 345.431043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CC[NH+](CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CC[NH+](CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H25FN2O2/c1-24-19-7-8-20(25-2)17(13-19)15-23-11-9-22(10-12-23)14-16-3-5-18(21)6-4-16/h3-8,13H,9-12,14-15H2,1-2H3/p+1