N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2S)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2S)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2S)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2S)-3-ketopiperazin-1-ium-2-yl]acetamide Formula: C14H18N3O4+ MolecularWeight: 292.31042

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C([NH2+]1)CC(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1CNC(=O)[C@@H]([NH2+]1)CC(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C14H17N3O4/c18-13(8-10-14(19)16-4-3-15-10)17-9-1-2-11-12(7-9)21-6-5-20-11/h1-2,7,10,15H,3-6,8H2,(H,16,19)(H,17,18)/p+1/t10-/m0/s1