2-[(2R)-1-(2,2-dimethylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(3-methylpyridin-4-yl)methyl]ethanamide

Systemtic Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(3-methylpyridin-4-yl)methyl]ethanamide Openeye Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxo-piperazin-1-ium-2-yl]-N-[(3-methyl-4-pyridyl)methyl]acetamide CAS Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxo-2-piperazin-1-iumyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide IUPAC Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-1-ium-2-yl]-N-[(3-methylpyridin-4-yl)methyl]acetamide Traditional Name: 2-[(2R)-3-keto-1-neopentyl-piperazin-1-ium-2-yl]-N-[(3-methyl-4-pyridyl)methyl]acetamide Formula: C18H29N4O2+ MolecularWeight: 333.44846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)CNC(=O)CC2C(=O)NCC[NH+]2CC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O2/c1-13-10-19-6-5-14(13)11-21-16(23)9-15-17(24)20-7-8-22(15)12-18(2,3)4/h5-6,10,15H,7-9,11-12H2,1-4H3,(H,20,24)(H,21,23)/p+1/t15-/m1/s1