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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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