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

Systemtic Name: 2-[4-(3,4-dimethylphenyl)carbonylpiperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-(3,4-dimethylbenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[(3,4-dimethylphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-(3,4-dimethylbenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-(3,4-dimethylbenzoyl)piperazin-1-ium-1-yl]-N-(3-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(=CC=C3)F)C

Isomeric SMILES

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

InChI

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