2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]ethanamide

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-[(2S)-2-phenylbutyl]acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]acetamide Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C24H31N3O2/c1-3-20(22-7-5-4-6-8-22)17-25-24(29)18-26-13-15-27(16-14-26)23-11-9-21(10-12-23)19(2)28/h4-12,20H,3,13-18H2,1-2H3,(H,25,29)/p+1/t20-/m1/s1