2-[(2R)-1-(2,2-dimethylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-ethyl-N-(pyridin-4-ylmethyl)ethanamide

Systemtic Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-ethyl-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxo-piperazin-1-ium-2-yl]-N-ethyl-N-(4-pyridylmethyl)acetamide CAS Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxo-2-piperazin-1-iumyl]-N-ethyl-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-1-ium-2-yl]-N-ethyl-N-(pyridin-4-ylmethyl)acetamide Traditional Name: N-ethyl-2-[(2R)-3-keto-1-neopentyl-piperazin-1-ium-2-yl]-N-(4-pyridylmethyl)acetamide Formula: C19H31N4O2+ MolecularWeight: 347.47504

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C(=O)CC2C(=O)NCC[NH+]2CC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O2/c1-5-22(13-15-6-8-20-9-7-15)17(24)12-16-18(25)21-10-11-23(16)14-19(2,3)4/h6-9,16H,5,10-14H2,1-4H3,(H,21,25)/p+1/t16-/m1/s1