2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]ethanamide

Systemtic Name: 2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2S)-2-phenylpropyl]acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-[(2S)-2-phenylpropyl]acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2S)-2-phenylpropyl]acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2S)-2-phenylpropyl]acetamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2/c1-18(19-8-4-2-5-9-19)16-23-21(26)17-24-12-14-25(15-13-24)22(27)20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3,(H,23,26)/p+1/t18-/m1/s1