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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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