N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C14H17BrN3O4+ MolecularWeight: 371.20648

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC(=O)NC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC(=O)NC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C14H16BrN3O4/c15-9-5-11-12(22-4-3-21-11)6-10(9)17-14(20)8-18-2-1-16-13(19)7-18/h5-6H,1-4,7-8H2,(H,16,19)(H,17,20)/p+1