2-[4-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine-1,4-diium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine-1,4-diium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine-1,4-diium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-piperazine-1,4-diiumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine-1,4-diium-1-yl]-N-cyclopropyl-acetamide Formula: C18H26BrN3O3+2 MolecularWeight: 412.32134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C18H24BrN3O3/c19-15-10-17-16(24-7-8-25-17)9-13(15)11-21-3-5-22(6-4-21)12-18(23)20-14-1-2-14/h9-10,14H,1-8,11-12H2,(H,20,23)/p+2