1-[(4-fluorophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(4-fluorophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium Openeye Name: 1-[(4-fluorophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium CAS Name: 1-[(4-fluorophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(4-fluorophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium Traditional Name: 1-(4-fluorobenzyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium Formula: C20H25FN2O3+2 MolecularWeight: 360.422503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+]3CC[NH+](CC3)CC4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+]3CC[NH+](CC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C20H23FN2O3/c1-24-18-10-16(11-19-20(18)26-14-25-19)13-23-8-6-22(7-9-23)12-15-2-4-17(21)5-3-15/h2-5,10-11H,6-9,12-14H2,1H3/p+2