1-[(2,5-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(2,5-dimethoxybenzyl)-4-(3-fluorobenzyl)piperazine-1,4-diium Formula: C20H27FN2O2+2 MolecularWeight: 346.438983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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