2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(m-tolyl)acetamide CAS Name: 2-[4-[(3-fluorophenyl)methyl]-1-piperazin-1-iumyl]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[4-(3-fluorobenzyl)piperazin-1-ium-1-yl]-N-(m-tolyl)acetamide Formula: C20H25FN3O+ MolecularWeight: 342.430403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H24FN3O/c1-16-4-2-7-19(12-16)22-20(25)15-24-10-8-23(9-11-24)14-17-5-3-6-18(21)13-17/h2-7,12-13H,8-11,14-15H2,1H3,(H,22,25)/p+1