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

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide Formula: C16H21BrN3O4+ MolecularWeight: 399.25964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C16H20BrN3O4/c1-11(21)20-4-2-19(3-5-20)10-16(22)18-13-9-15-14(8-12(13)17)23-6-7-24-15/h8-9H,2-7,10H2,1H3,(H,18,22)/p+1