N-(2,6-dimethylphenyl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(3-fluorophenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(3-fluorobenzyl)piperazin-1-ium-1-yl]acetamide Formula: C21H27FN3O+ MolecularWeight: 356.456983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O/c1-16-5-3-6-17(2)21(16)23-20(26)15-25-11-9-24(10-12-25)14-18-7-4-8-19(22)13-18/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,26)/p+1