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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)F

InChI

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