N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-propyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1S)-1-benzyl-2-keto-propyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2/c1-18(26)21(16-19-8-4-2-5-9-19)23-22(27)17-24-12-14-25(15-13-24)20-10-6-3-7-11-20/h2-11,21H,12-17H2,1H3,(H,23,27)/p+1/t21-/m0/s1