1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-[(4-chlorophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-[(4-chlorophenyl)methyl]piperazin-4-ium Openeye Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-[(4-chlorophenyl)methyl]piperazin-4-ium CAS Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-[(4-chlorophenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-[(4-chlorophenyl)methyl]piperazin-4-ium Traditional Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(4-chlorobenzyl)piperazin-4-ium Formula: C20H23BrClN2O2+ MolecularWeight: 438.76582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)CC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)CC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C20H22BrClN2O2/c21-18-12-20-19(25-9-10-26-20)11-16(18)14-24-7-5-23(6-8-24)13-15-1-3-17(22)4-2-15/h1-4,11-12H,5-10,13-14H2/p+1