N-(2,4-dimethoxyphenyl)-2-[(2S)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-2-[(2S)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanamide Openeye Name: N-(2,4-dimethoxyphenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide CAS Name: N-(2,4-dimethoxyphenyl)-2-[(2S)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,4-dimethoxyphenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(2,4-dimethoxyphenyl)-2-[(2S)-3-ketopiperazin-1-ium-2-yl]acetamide Formula: C14H20N3O4+ MolecularWeight: 294.3263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CC2C(=O)NCC[NH2+]2)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C[C@H]2C(=O)NCC[NH2+]2)OC

InChI

InChI=1S/C14H19N3O4/c1-20-9-3-4-10(12(7-9)21-2)17-13(18)8-11-14(19)16-6-5-15-11/h3-4,7,11,15H,5-6,8H2,1-2H3,(H,16,19)(H,17,18)/p+1/t11-/m0/s1