1-(2-fluorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2-fluorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2-fluorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(2-fluorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2-fluorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2-fluorophenyl)-4-(3,4,5-trimethoxybenzyl)piperazin-4-ium Formula: C20H26FN2O3+ MolecularWeight: 361.430443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C20H25FN2O3/c1-24-18-12-15(13-19(25-2)20(18)26-3)14-22-8-10-23(11-9-22)17-7-5-4-6-16(17)21/h4-7,12-13H,8-11,14H2,1-3H3/p+1