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

Systemtic Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(2R)-1-(2,2-dimethylpropyl)-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxo-2-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-benzyl-2-[(2R)-3-keto-1-neopentyl-piperazin-1-ium-2-yl]acetamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCNC(=O)C1CC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C[NH+]1CCNC(=O)[C@H]1CC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H27N3O2/c1-18(2,3)13-21-10-9-19-17(23)15(21)11-16(22)20-12-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,19,23)(H,20,22)/p+1/t15-/m1/s1