1-[(4-ethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(4-ethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazin-4-ium Openeye Name: 1-[(4-ethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazin-4-ium CAS Name: 1-[(4-ethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(4-ethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-ethoxybenzyl)-4-(3-fluorobenzyl)piperazin-4-ium Formula: C20H26FN2O+ MolecularWeight: 329.431643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H25FN2O/c1-2-24-20-8-6-17(7-9-20)15-22-10-12-23(13-11-22)16-18-4-3-5-19(21)14-18/h3-9,14H,2,10-13,15-16H2,1H3/p+1