(2S)-N-(2,5-dimethylphenyl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,5-dimethylphenyl)-2-phenyl-acetamide CAS Name: (2S)-2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(2,5-dimethylphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,5-dimethylphenyl)-2-phenylacetamide Traditional Name: (2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,5-dimethylphenyl)-2-phenyl-acetamide Formula: C28H32N3O2+ MolecularWeight: 442.57258

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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)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C28H31N3O2/c1-20-9-10-21(2)26(19-20)29-28(33)27(24-7-5-4-6-8-24)31-17-15-30(16-18-31)25-13-11-23(12-14-25)22(3)32/h4-14,19,27H,15-18H2,1-3H3,(H,29,33)/p+1/t27-/m0/s1