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

Systemtic Name: (2S)-N-(ethylcarbamoyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-N-(ethylcarbamoyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-N-(ethylcarbamoyl)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-N-(ethylcarbamoyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-N-(ethylcarbamoyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C21H26FN4O2+ MolecularWeight: 385.455143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN4O2/c1-2-23-21(28)24-20(27)19(16-6-4-3-5-7-16)26-14-12-25(13-15-26)18-10-8-17(22)9-11-18/h3-11,19H,2,12-15H2,1H3,(H2,23,24,27,28)/p+1/t19-/m0/s1