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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[5-bromanyl-2-[(2-chlorophenyl)methoxy]phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]azanium Traditional Name: [5-bromo-2-(2-chlorobenzyl)oxy-benzyl]-piperonyl-ammonium Formula: C22H20BrClNO3+ MolecularWeight: 461.7561

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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=C4Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=C(C=CC(=C3)Br)OCC4=CC=CC=C4Cl

InChI

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