N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C15H18N3O5+ MolecularWeight: 320.32052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCNC(=O)C3)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCNC(=O)C3)OCO2

InChI

InChI=1S/C15H17N3O5/c1-9(19)10-4-12-13(23-8-22-12)5-11(10)17-15(21)7-18-3-2-16-14(20)6-18/h4-5H,2-3,6-8H2,1H3,(H,16,20)(H,17,21)/p+1