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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[3-bromanyl-4-[(4-chlorophenyl)methoxy]phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]azanium Traditional Name: [3-bromo-4-(4-chlorobenzyl)oxy-benzyl]-piperonyl-ammonium Formula: C22H20BrClNO3+ MolecularWeight: 461.7561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrClNO3/c23-19-9-16(3-7-20(19)26-13-15-1-5-18(24)6-2-15)11-25-12-17-4-8-21-22(10-17)28-14-27-21/h1-10,25H,11-14H2/p+1