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

Systemtic Name: 2-[4-(3,4-dimethylphenyl)carbonylpiperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-(3,4-dimethylbenzoyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[(3,4-dimethylphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-(3,4-dimethylbenzoyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-(3,4-dimethylbenzoyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Formula: C21H25FN3O2+ MolecularWeight: 370.440503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H24FN3O2/c1-15-3-4-17(13-16(15)2)21(27)25-11-9-24(10-12-25)14-20(26)23-19-7-5-18(22)6-8-19/h3-8,13H,9-12,14H2,1-2H3,(H,23,26)/p+1