(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)-2-phenyl-acetamide CAS Name: (2S)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-(methylcarbamoyl)-2-phenylacetamide IUPAC Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide Traditional Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)-2-phenyl-acetamide Formula: C20H24FN4O2+ MolecularWeight: 371.428563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN4O2/c1-22-20(27)23-19(26)18(15-5-3-2-4-6-15)25-13-11-24(12-14-25)17-9-7-16(21)8-10-17/h2-10,18H,11-14H2,1H3,(H2,22,23,26,27)/p+1/t18-/m0/s1