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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(3-fluorophenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(3-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(3-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(3-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-(3-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)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)F)C

Isomeric SMILES

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

InChI

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