(2,6-dimethoxyphenyl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2,6-dimethoxyphenyl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2,6-dimethoxyphenyl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (2,6-dimethoxyphenyl)-[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2,6-dimethoxyphenyl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2,6-dimethoxyphenyl)-[4-(3-fluorobenzyl)piperazin-4-ium-1-yl]methanone Formula: C20H24FN2O3+ MolecularWeight: 359.414563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H23FN2O3/c1-25-17-7-4-8-18(26-2)19(17)20(24)23-11-9-22(10-12-23)14-15-5-3-6-16(21)13-15/h3-8,13H,9-12,14H2,1-2H3/p+1