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

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C21H25FN3O2+ MolecularWeight: 370.440503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3F

InChI

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