2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]ethanamide

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-[(1R)-1-phenylethyl]acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]acetamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2/c1-17(19-6-4-3-5-7-19)23-22(27)16-24-12-14-25(15-13-24)21-10-8-20(9-11-21)18(2)26/h3-11,17H,12-16H2,1-2H3,(H,23,27)/p+1/t17-/m1/s1