N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H22BrN4O5+ MolecularWeight: 478.31648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2Br)OCCO3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2Br)OCCO3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H21BrN4O5/c21-14-11-18-19(30-10-9-29-18)12-15(14)22-20(26)13-23-5-7-24(8-6-23)16-3-1-2-4-17(16)25(27)28/h1-4,11-12H,5-10,13H2,(H,22,26)/p+1