2-[(2R)-3-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-2-yl]-N-[(1-phenylcyclopentyl)methyl]ethanamide

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-2-yl]-N-[(1-phenylcyclopentyl)methyl]ethanamide Openeye Name: 2-[(2R)-1-benzyl-3-oxo-piperazin-1-ium-2-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide CAS Name: 2-[(2R)-3-oxo-1-(phenylmethyl)-2-piperazin-1-iumyl]-N-[(1-phenylcyclopentyl)methyl]acetamide IUPAC Name: 2-[(2R)-1-benzyl-3-oxopiperazin-1-ium-2-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide Traditional Name: 2-[(2R)-1-benzyl-3-keto-piperazin-1-ium-2-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)(CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O2/c29-23(27-19-25(13-7-8-14-25)21-11-5-2-6-12-21)17-22-24(30)26-15-16-28(22)18-20-9-3-1-4-10-20/h1-6,9-12,22H,7-8,13-19H2,(H,26,30)(H,27,29)/p+1/t22-/m1/s1