N-(2,2-dimethyl-3-oxidanyl-propyl)-2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(2,2-dimethyl-3-oxidanyl-propyl)-2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(3-hydroxy-2,2-dimethyl-propyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: N-(3-hydroxy-2,2-dimethylpropyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-hydroxy-2,2-dimethylpropyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: N-(3-hydroxy-2,2-dimethyl-propyl)-2-[(2R)-3-keto-1-(3-phenoxybenzyl)piperazin-1-ium-2-yl]acetamide Formula: C24H32N3O4+ MolecularWeight: 426.52858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)CC1C(=O)NCC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)CO

Isomeric SMILES

CC(C)(CNC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)CO

InChI

InChI=1S/C24H31N3O4/c1-24(2,17-28)16-26-22(29)14-21-23(30)25-11-12-27(21)15-18-7-6-10-20(13-18)31-19-8-4-3-5-9-19/h3-10,13,21,28H,11-12,14-17H2,1-2H3,(H,25,30)(H,26,29)/p+1/t21-/m1/s1