1,3-benzodioxol-5-ylmethyl-[[5-bromanyl-2-[(4-fluorophenyl)methoxy]phenyl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[5-bromanyl-2-[(4-fluorophenyl)methoxy]phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]azanium Traditional Name: [5-bromo-2-(4-fluorobenzyl)oxy-benzyl]-piperonyl-ammonium Formula: C22H20BrFNO3+ MolecularWeight: 445.301503

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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=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrFNO3/c23-18-4-8-20(26-13-15-1-5-19(24)6-2-15)17(10-18)12-25-11-16-3-7-21-22(9-16)28-14-27-21/h1-10,25H,11-14H2/p+1