N-(2,2-dimethyl-3-oxidanyl-propyl)-2-[(2S)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(2,2-dimethyl-3-oxidanyl-propyl)-2-[(2S)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(3-hydroxy-2,2-dimethyl-propyl)-2-[(2S)-3-oxo-1-phenethyl-piperazin-1-ium-2-yl]acetamide CAS Name: N-(3-hydroxy-2,2-dimethylpropyl)-2-[(2S)-3-oxo-1-phenethyl-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-hydroxy-2,2-dimethylpropyl)-2-[(2S)-3-oxo-1-phenethylpiperazin-1-ium-2-yl]acetamide Traditional Name: N-(3-hydroxy-2,2-dimethyl-propyl)-2-[(2S)-3-keto-1-phenethyl-piperazin-1-ium-2-yl]acetamide Formula: C19H30N3O3+ MolecularWeight: 348.4598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)CC1C(=O)NCC[NH+]1CCC2=CC=CC=C2)CO

Isomeric SMILES

CC(C)(CNC(=O)C[C@H]1C(=O)NCC[NH+]1CCC2=CC=CC=C2)CO

InChI

InChI=1S/C19H29N3O3/c1-19(2,14-23)13-21-17(24)12-16-18(25)20-9-11-22(16)10-8-15-6-4-3-5-7-15/h3-7,16,23H,8-14H2,1-2H3,(H,20,25)(H,21,24)/p+1/t16-/m0/s1