1,3-benzodioxol-5-ylmethyl-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(2-benzyloxy-5-bromo-phenyl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(5-bromo-2-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(5-bromo-2-phenylmethoxyphenyl)methyl]azanium Traditional Name: (2-benzoxy-5-bromo-benzyl)-piperonyl-ammonium Formula: C22H21BrNO3+ MolecularWeight: 427.31104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrNO3/c23-19-7-9-20(25-14-16-4-2-1-3-5-16)18(11-19)13-24-12-17-6-8-21-22(10-17)27-15-26-21/h1-11,24H,12-15H2/p+1