(2S)-N-(2,5-dimethylphenyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(2,5-dimethylphenyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-phenyl-ethanamide Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2,5-dimethylphenyl)-2-phenyl-acetamide CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-N-(2,5-dimethylphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2,5-dimethylphenyl)-2-phenylacetamide Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2,5-dimethylphenyl)-2-phenyl-acetamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C22H27N3O2/c1-16-9-10-17(2)20(15-16)23-22(27)21(19-7-5-4-6-8-19)25-13-11-24(12-14-25)18(3)26/h4-10,15,21H,11-14H2,1-3H3,(H,23,27)/p+1/t21-/m0/s1