(2S)-2-[4-(4-ethylphenyl)carbonylpiperazin-1-ium-1-yl]-2-(4-fluorophenyl)ethanamide

Systemtic Name: (2S)-2-[4-(4-ethylphenyl)carbonylpiperazin-1-ium-1-yl]-2-(4-fluorophenyl)ethanamide Openeye Name: (2S)-2-[4-(4-ethylbenzoyl)piperazin-1-ium-1-yl]-2-(4-fluorophenyl)acetamide CAS Name: (2S)-2-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazin-1-iumyl]-2-(4-fluorophenyl)acetamide IUPAC Name: (2S)-2-[4-(4-ethylbenzoyl)piperazin-1-ium-1-yl]-2-(4-fluorophenyl)acetamide Traditional Name: (2S)-2-[4-(4-ethylbenzoyl)piperazin-1-ium-1-yl]-2-(4-fluorophenyl)acetamide Formula: C21H25FN3O2+ MolecularWeight: 370.440503

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=C(C=C3)F)C(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)[C@@H](C3=CC=C(C=C3)F)C(=O)N

InChI

InChI=1S/C21H24FN3O2/c1-2-15-3-5-17(6-4-15)21(27)25-13-11-24(12-14-25)19(20(23)26)16-7-9-18(22)10-8-16/h3-10,19H,2,11-14H2,1H3,(H2,23,26)/p+1/t19-/m0/s1