1,3-benzodioxol-5-ylmethyl-[[3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(4-benzyloxy-3,5-dibromo-phenyl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: (4-benzoxy-3,5-dibromo-benzyl)-piperonyl-ammonium Formula: C22H20Br2NO3+ MolecularWeight: 506.2071

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=CC(=C(C(=C3)Br)OCC4=CC=CC=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=CC(=C(C(=C3)Br)OCC4=CC=CC=C4)Br

InChI

InChI=1S/C22H19Br2NO3/c23-18-8-17(9-19(24)22(18)26-13-15-4-2-1-3-5-15)12-25-11-16-6-7-20-21(10-16)28-14-27-20/h1-10,25H,11-14H2/p+1