N-(3,5-dimethoxyphenyl)-2-[(2S)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-[(2S)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanamide Openeye Name: N-(3,5-dimethoxyphenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide CAS Name: N-(3,5-dimethoxyphenyl)-2-[(2S)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(3,5-dimethoxyphenyl)-2-[(2S)-3-ketopiperazin-1-ium-2-yl]acetamide Formula: C14H20N3O4+ MolecularWeight: 294.3263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O4/c1-20-10-5-9(6-11(7-10)21-2)17-13(18)8-12-14(19)16-4-3-15-12/h5-7,12,15H,3-4,8H2,1-2H3,(H,16,19)(H,17,18)/p+1/t12-/m0/s1